Geometry & MOs

Info

ID:	204501
PubChem CID:	79973353
Reduced:	OS2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	280.193949
ΔH_f, kcal/mol:	49.46
Dipole, Da:	3.04
IP(EA), eV:	-8.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclopropylphenyl)-N-ethyl-N-phenylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CSC(CS1)C2=NOC(=N2)C3=CC(=CC=C3)N

DOS

IR

Vibrations