Geometry & MOs

Info

ID:	177897
PubChem CID:	76250415
Reduced:	N4O5H17C20 (1)
Stoich.:	A4B5C17D20 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-103.33
Dipole, Da:	5.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772508
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[[6-(dimethylamino)pyridin-3-yl]methyl]-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCC(=O)N2)NC(=O)C[N+]3=NC(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations