Geometry & MOs

Info

ID:	354245
PubChem CID:	127286209
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-127.98
Dipole, Da:	4.44
IP(EA), eV:	-8.19(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)N2CCCC2CN3CCCC3)OCC4CCCO4

DOS

IR

Vibrations