Geometry & MOs

Info

ID:	365450
PubChem CID:	127317849
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	379.166269
ΔH_f, kcal/mol:	-33.27
Dipole, Da:	3.2
IP(EA), eV:	-8.57(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NC(C3=CC=C(C=C3)OC)C4=NC=CN4C

DOS

IR

Vibrations