Geometry & MOs

Info

ID:	36983
PubChem CID:	8015733
Reduced:	N2O4C25H33 (1)
Stoich.:	A2B4C25D33 (1)
Weight, g/mol:	399.191997
ΔH_f, kcal/mol:	-152.34
Dipole, Da:	17.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.265506
Charge, e:	1

Chem-info

IUPAC name:

2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide

Drug info:

PubChemData

Smile

CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CC(=O)NC4CC([NH2+]C(C4)(C)C)(C)C)C)C

DOS

IR

Vibrations