Geometry & MOs

Info

ID:	172390
PubChem CID:	75503582
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	319.14331
ΔH_f, kcal/mol:	-97.47
Dipole, Da:	5.77
IP(EA), eV:	-9.6(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-pyridin-4-ylcyclopropyl)methyl]-2-(triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C1COCCC12CN(CCOC2)C(=O)C3=CC=NC=C3

DOS

IR

Vibrations