Geometry & MOs

Info

ID:	46543
PubChem CID:	10525094
Reduced:	NO5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	401.199094
ΔH_f, kcal/mol:	-193.99
Dipole, Da:	1.92
IP(EA), eV:	-9.1(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-tert-butylphenyl)-2-oxoethyl]-N-(3-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

CC1(O[C@@H]([C@@H](O1)[C@@H]([C@@H](CO)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O)CO)C

DOS

IR

Vibrations