Geometry & MOs

Info

ID:	130124
PubChem CID:	51074980
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	-117.48
Dipole, Da:	6.09
IP(EA), eV:	-9.11(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)C(=O)N(CCOC)CCOC

DOS

IR

Vibrations