Geometry & MOs

Info

ID:	439578
PubChem CID:	135229354
Reduced:	N4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	425.253923
ΔH_f, kcal/mol:	55.41
Dipole, Da:	3.58
IP(EA), eV:	-9.12(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[3-[methyl(prop-2-enyl)amino]cyclobutyl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-one

Drug info:

PubChemData

Smile

CCCCCC1=NC=C(C=C1)C2=NN(C=N2)C

DOS

IR

Vibrations