Geometry & MOs

Info

ID:	310005
PubChem CID:	126572640
Reduced:	N3H17C19 (1)
Stoich.:	A3B17C19 (1)
Weight, g/mol:	447.0307
ΔH_f, kcal/mol:	95.82
Dipole, Da:	4.48
IP(EA), eV:	-8.43(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-3-iodo-5-[4-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(N=C(C2=CC=CC=C12)C3=C4C=CC=CC4=NN3C)C

DOS

IR

Vibrations