Geometry & MOs

Info

ID:	285534
PubChem CID:	104110388
Reduced:	BrClFNOC12H14 (1)
Stoich.:	ABCDEF12G14 (1)
Weight, g/mol:	267.138992
ΔH_f, kcal/mol:	-101.75
Dipole, Da:	5.11
IP(EA), eV:	-9.86(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloropentan-2-yl)-4-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(CC(C)Cl)NC(=O)C1=C(C=CC(=C1)F)Br

DOS

IR

Vibrations