Geometry & MOs

Info

ID:

388749

PubChem CID:

134990077

Reduced:

P2C7H11 (1)

Stoich.:

A2B7C11 (1)

Weight, g/mol:

244.132411

ΔHf, kcal/mol:

25.97

Dipole, Da:

3.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.973665

Charge, e:

 0

Chem-info

IUPAC name:

(5-amino-1-butyltriazol-4-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CCC1=C[P-]P=C1CC

DOS

IR

Vibrations