Geometry & MOs

Info

ID:	130113
PubChem CID:	51074956
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-17.24
Dipole, Da:	6.04
IP(EA), eV:	-8.94(-0.01)
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-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NCC2=NN=C3N2CCC3

DOS

IR

Vibrations