Geometry & MOs

Info

ID:	204572
PubChem CID:	79984164
Reduced:	ClNSC15H16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	272.225249
ΔH_f, kcal/mol:	62.73
Dipole, Da:	1.82
IP(EA), eV:	-9.22(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-propylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CC1C2=CC=C(C=C2)CNCC3=CC=C(S3)Cl

DOS

IR

Vibrations