Geometry & MOs

Info

ID:	250021
PubChem CID:	103093601
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	282.113506
ΔH_f, kcal/mol:	-60.6
Dipole, Da:	2.37
IP(EA), eV:	-8.8(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-chloro-3-nitrophenyl)-3-methyl-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=CC2=C(C(=C1)Cl)OCO2)/C

DOS

IR

Vibrations