Geometry & MOs

Info

ID:	270715
PubChem CID:	103637808
Reduced:	SN2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	282.149891
ΔH_f, kcal/mol:	67.72
Dipole, Da:	2.78
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2-methoxyphenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCNCC1=CC(=CS1)C2=CC=CC=C2)C3CC3

DOS

IR

Vibrations