Geometry & MOs

Info

ID:	46593
PubChem CID:	10525415
Reduced:	N2O3C24H42 (1)
Stoich.:	A2B3C24D42 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-101.21
Dipole, Da:	3.17
IP(EA), eV:	-9.53(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4/C=N/OCCCCN)O)C)O

DOS

IR

Vibrations