Geometry & MOs

Info

ID:	249695
PubChem CID:	103091411
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-26.08
Dipole, Da:	0.74
IP(EA), eV:	-8.96(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2-nitrophenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC(=C(C=C1)O)Cl)N

DOS

IR

Vibrations