Geometry & MOs

Info

ID:	38204
PubChem CID:	8027966
Reduced:	N2O4C24H35 (1)
Stoich.:	A2B4C24D35 (1)
Weight, g/mol:	387.191997
ΔH_f, kcal/mol:	-149.68
Dipole, Da:	26.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.892304
Charge, e:	1

Chem-info

IUPAC name:

N-(2-morpholin-4-ium-4-ylethyl)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide

Drug info:

PubChemData

Smile

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC3CC([NH2+]C(C3)(C)C)(C)C

DOS

IR

Vibrations