Geometry & MOs

Info

ID:	447114
PubChem CID:	135280401
Reduced:	ON2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	38.58
Dipole, Da:	7.43
IP(EA), eV:	-8.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methoxy-2-methyl-3-[(1-prop-2-enoylpyrrolidin-3-yl)amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NN=C2)C3=CC4=C(C=C3)C=C(N4C(=O)C)C5CN(C5)C(=O)C=C

DOS

IR

Vibrations