Geometry & MOs

Info

ID:	38176
PubChem CID:	8027790
Reduced:	N2O4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	375.191997
ΔH_f, kcal/mol:	-190.44
Dipole, Da:	5.33
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ium-4-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)O[C@H](C)C(=O)NC3CC(NC(C3)(C)C)(C)C

DOS

IR

Vibrations