Geometry & MOs

Info

ID:	362577
PubChem CID:	127308309
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	379.166269
ΔH_f, kcal/mol:	7.46
Dipole, Da:	6.55
IP(EA), eV:	-8.97(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4C#N

DOS

IR

Vibrations