Geometry & MOs

Info

ID:	201392
PubChem CID:	79532964
Reduced:	BrNSO2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	252.256549
ΔH_f, kcal/mol:	-57.36
Dipole, Da:	3.5
IP(EA), eV:	-8.87(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(aminomethyl)cyclohexyl]methyl]-N-(3-methylbutyl)cyclopropanamine

Drug info:

PubChemData

Smile

CC(=CCSC1=C(C=CC(=C1)Br)N)C(=O)OC

DOS

IR

Vibrations