Geometry & MOs

Info

ID:	128200
PubChem CID:	51034671
Reduced:	NO2H12C14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	232.193949
ΔH_f, kcal/mol:	-62.71
Dipole, Da:	3.88
IP(EA), eV:	-9.01(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-diethyl-N-[(1R,2S)-2-phenylcyclopropyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)(/C(=C\1/C2=CC=CC=C2N(C1=O)CC3=CC(=CC=C3)C(=O)OC)/C4=CC=C(C=C4)C#N)O

DOS

IR

Vibrations