Geometry & MOs

Info

ID:	130112
PubChem CID:	51074955
Reduced:	ON4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-19.84
Dipole, Da:	4.76
IP(EA), eV:	-9.64(0.35)
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-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NCC1=NN=C2N1CCC2

DOS

IR

Vibrations