Geometry & MOs

Info

ID:

387183

PubChem CID:

134984320

Reduced:

BPF15H35C45 (1)

Stoich.:

ABC15D35E45 (1)

Weight, g/mol:

242.112738

ΔHf, kcal/mol:

-635.71

Dipole, Da:

34.0

IP(EA), eV:

-8.53(-1.27)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3Z)-3-[[bis(2-hydroxyethyl)amino]hydrazinylidene]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

[BH-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F.CC1=CC(=C(C(=C1)C)[PH+](C2=C(C=C(C=C2C)C)C)C3=C(C=C(C=C3C)C)C)C

DOS

IR

Vibrations