Geometry & MOs

Info

ID:	38268
PubChem CID:	8028597
Reduced:	N2O4C23H33 (1)
Stoich.:	A2B4C23D33 (1)
Weight, g/mol:	414.251858
ΔH_f, kcal/mol:	-165.37
Dipole, Da:	2.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754818
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2C)O[C@H](C)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C

DOS

IR

Vibrations