Geometry & MOs

Info

ID:	407260
PubChem CID:	135079682
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-107.06
Dipole, Da:	4.48
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methoxyphenyl)prop-2-ynyl]-N,1-dimethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCC\1=C(C(=O)N/C1=C/C2=C(C(=CN2)CCC(=O)O)C)C

DOS

IR

Vibrations