Geometry & MOs

Info

ID:	200785
PubChem CID:	79443819
Reduced:	N2Br3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	183.1987
ΔH_f, kcal/mol:	42.32
Dipole, Da:	3.88
IP(EA), eV:	-9.38(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butan-2-yl-4-methylcycloheptan-1-amine

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=N1)CC(CBr)(CBr)C2=CC=C(C=C2)Br

DOS

IR

Vibrations