Geometry & MOs

Info

ID:	275571
PubChem CID:	103816627
Reduced:	BrN2O2C18H27 (1)
Stoich.:	AB2C2D18E27 (1)
Weight, g/mol:	367.03948
ΔH_f, kcal/mol:	-124.05
Dipole, Da:	3.2
IP(EA), eV:	-8.73(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(5-methoxypentyl)-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)NC2CCC(C2)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations