Geometry & MOs

Info

ID:	365449
PubChem CID:	127317848
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-161.65
Dipole, Da:	4.67
IP(EA), eV:	-9.65(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2CC(CCC2C1)NC(=O)NCCN3C(=O)CNC3=O

DOS

IR

Vibrations