Geometry & MOs

Info

ID:	438202
PubChem CID:	135227895
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	330.07316
ΔH_f, kcal/mol:	-31.38
Dipole, Da:	6.23
IP(EA), eV:	-8.43(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-N-[cyclopropyl(phenyl)methyl]-3-methylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CNC(=O)C2=C1NC=C2

DOS

IR

Vibrations