Geometry & MOs

Info

ID:	58899
PubChem CID:	24715155
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	5.38
IP(EA), eV:	-8.86(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-1-(2,4-dimethylphenyl)-N-(3-methoxypropyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC(=O)N1CCC2(CC1)NC3=CC=CC=C3C(=O)N2

DOS

IR

Vibrations