Geometry & MOs

Info

ID:	194652
PubChem CID:	78568260
Reduced:	N2O2C19H24 (1)
Stoich.:	A2B2C19D24 (1)
Weight, g/mol:	361.215413
ΔH_f, kcal/mol:	-85.0
Dipole, Da:	0.67
IP(EA), eV:	-8.96(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(C)O)C)C(=O)NC2CCCC3=CC=CC=C23

DOS

IR

Vibrations