Geometry & MOs

Info

ID:	439539
PubChem CID:	135229315
Reduced:	FO2N10C23H31 (1)
Stoich.:	AB2C10D23E31 (1)
Weight, g/mol:	409.186238
ΔH_f, kcal/mol:	12.04
Dipole, Da:	4.32
IP(EA), eV:	-8.33(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-3H-imidazo[4,5-c]pyridin-4-one

Drug info:

PubChemData

Smile

CCC1=CN=C2N1N=C(N=C2NC3=CN(N=C3OC)C4CCN(C4)C)N5CC(C(C5)F)NC(=O)C=C

DOS

IR

Vibrations