Geometry & MOs

Info

ID:	447748
PubChem CID:	135285311
Reduced:	N2O2C14H15 (2)
Stoich.:	A2B2C14D15 (2)
Weight, g/mol:	551.178039
ΔH_f, kcal/mol:	-104.96
Dipole, Da:	3.31
IP(EA), eV:	-8.68(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[4-[2-oxo-1-(1-prop-2-enoylpyrrolidin-3-yl)imidazo[4,5-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=CC=C(C=C2)N3C4=C(C=CN=C4)N(C3=O)C5CCN(C5)C(=O)OC(C)(C)C

DOS

IR

Vibrations