Geometry & MOs

Info

ID:	289995
PubChem CID:	104396635
Reduced:	SN2C11H18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	296.08881
ΔH_f, kcal/mol:	39.24
Dipole, Da:	2.47
IP(EA), eV:	-8.87(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(4-bromo-3-methylphenyl)methyl]-1-N-cyclopropylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CC(CNC1CC1)NCC2=CSC=C2

DOS

IR

Vibrations