Geometry & MOs

Info

ID:	176327
PubChem CID:	76034621
Reduced:	N3O3C21H22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	487.244426
ΔH_f, kcal/mol:	-73.66
Dipole, Da:	6.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.988437
Charge, e:	1

Chem-info

IUPAC name:

2-(2-morpholin-4-ium-4-ylethyl)-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CC1(CC(=O)C2C(=C1)NC3=[N+](C(=O)N(C(=O)C3=C2C4=CC=CC=C4)C)C)C

DOS

IR

Vibrations