Geometry & MOs

Info

ID:	304421
PubChem CID:	124589926
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	10.19
Dipole, Da:	4.2
IP(EA), eV:	-8.99(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[(3S)-4-(5-nitropyridin-2-yl)morpholin-3-yl]-1-phenylethanol

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](N1)C)C(=O)C2=CN(N=C2C)C3=CC=CC=C3

DOS

IR

Vibrations