Geometry & MOs

Info

ID:	130616
PubChem CID:	51091734
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	310.129057
ΔH_f, kcal/mol:	77.88
Dipole, Da:	4.16
IP(EA), eV:	-8.97(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)CC(C1=CC=CC=C1)NC(=O)C2=CC(=NC=C2)N3C=NC=N3

DOS

IR

Vibrations