Geometry & MOs

Info

ID:	365440
PubChem CID:	127317839
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-116.74
Dipole, Da:	3.06
IP(EA), eV:	-8.57(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-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=CC4=C(C=C3)OCCO4)C(C)C

DOS

IR

Vibrations