Geometry & MOs

Info

ID:	177202
PubChem CID:	76146558
Reduced:	O3N5H19C22 (1)
Stoich.:	A3B5C19D22 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	20.04
Dipole, Da:	5.93
IP(EA), eV:	-9.14(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(3,3-diethoxypropyl)-5-pyrrol-1-yltriazole-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC(=O)C2=C(N(N=N2)CC3=CC=CC=C3)N4C=CC=C4

DOS

IR

Vibrations