Geometry & MOs

Info

ID:	283598
PubChem CID:	103991970
Reduced:	BrON2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	354.01345
ΔH_f, kcal/mol:	-36.07
Dipole, Da:	3.21
IP(EA), eV:	-8.56(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-chloro-N-(1-cyanocycloheptyl)benzamide

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C)CNCC2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations