Geometry & MOs

Info

ID:	270737
PubChem CID:	103637878
Reduced:	SN2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	64.45
Dipole, Da:	1.85
IP(EA), eV:	-8.77(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclopropyl-N'-ethyl-N-[(3-nitrophenyl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCNCC1=CC=C(S1)C2=CC=CC=C2)C3CC3

DOS

IR

Vibrations