Geometry & MOs

Info

ID:	145758
PubChem CID:	53587721
Reduced:	ClO2N5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	345.147727
ΔH_f, kcal/mol:	14.84
Dipole, Da:	7.52
IP(EA), eV:	-9.59(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyanophenyl)methyl]-4-(2-methoxyphenyl)-N-methyl-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)OC(CN2C=NC=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations