Geometry & MOs

Info

ID:	131986
PubChem CID:	51286938
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	5.39
Dipole, Da:	5.56
IP(EA), eV:	-8.71(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]-N-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1C2=CC=CN2CCN1CC(=O)N(C)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations