Geometry & MOs

Info

ID:	122728
PubChem CID:	50818917
Reduced:	Cl2O3N5H19C20 (1)
Stoich.:	A2B3C5D19E20 (1)
Weight, g/mol:	405.135638
ΔH_f, kcal/mol:	-22.62
Dipole, Da:	2.43
IP(EA), eV:	-9.02(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]-5-pyrrol-1-yltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCC1=NOC(=N1)C(=O)NCC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations