Geometry & MOs

Info

ID:	241863
PubChem CID:	96024416
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-103.9
Dipole, Da:	4.28
IP(EA), eV:	-8.9(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[methyl(naphthalen-1-yl)amino]-3-(4-nitropyrazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)[C@@H]3CCCC[C@@H]3C(=O)O

DOS

IR

Vibrations