Geometry & MOs

Info

ID:	65981
PubChem CID:	46484824
Reduced:	OSN2H16C18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	469.05249
ΔH_f, kcal/mol:	27.75
Dipole, Da:	4.89
IP(EA), eV:	-8.66(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromophenyl)methoxy]-3-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C2=CN=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations