Geometry & MOs

Info

ID:	43756
PubChem CID:	10321744
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	454.156243
ΔH_f, kcal/mol:	-159.02
Dipole, Da:	6.66
IP(EA), eV:	-8.54(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]oxy-N-(pyridin-3-ylmethyl)aniline

Drug info:

PubChemData

Smile

C1CCC2(C1)CC(=O)N(C(=O)C2)CCNC[C@@H]3COC4=CC=CC=C4O3

DOS

IR

Vibrations