Geometry & MOs

Info

ID:	131076
PubChem CID:	51151722
Reduced:	BrN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-49.8
Dipole, Da:	5.99
IP(EA), eV:	-9.79(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-N-[(4-carbamoylphenyl)methyl]-3-methoxybenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CONC(=O)CC(C2=CC(=CC=C2)Br)NC(=O)N

DOS

IR

Vibrations