Geometry & MOs

Info

ID:	266376
PubChem CID:	103563485
Reduced:	BrNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	170.178299
ΔH_f, kcal/mol:	-64.2
Dipole, Da:	3.43
IP(EA), eV:	-8.77(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-methyl-N'-(3-propan-2-ylcyclobutyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1CC(C1)(C(=O)OC)NC2=CC(=CC=C2)Br

DOS

IR

Vibrations