Geometry & MOs

Info

ID:

320216

PubChem CID:

126658745

Reduced:

ON4C12H15 (2)

Stoich.:

AB4C12D15 (2)

Weight, g/mol:

491.185192

ΔHf, kcal/mol:

49.76

Dipole, Da:

3.99

IP(EA), eV:

 -8.44(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[[6-[2-(cyclopropylmethylamino)pyridin-4-yl]pyridin-2-yl]-hydroxymethyl]amino]-1-methyl-N-(1,3,4-thiadiazol-2-ylmethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C(=O)N2CC(C2)CN)NC(C3=CC=CC(=N3)C4=CC(=NC=C4)NCC5CC5)O

DOS

IR

Vibrations