Geometry & MOs

Info

ID:	439533
PubChem CID:	135229309
Reduced:	FON8C18H23 (1)
Stoich.:	ABC8D18E23 (1)
Weight, g/mol:	437.217538
ΔH_f, kcal/mol:	30.31
Dipole, Da:	4.07
IP(EA), eV:	-8.03(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=C)N1C=NC2=C(N=C(N=C21)N3CC[C@@H](C3)F)NC4=CN(N=C4OC)C

DOS

IR

Vibrations