Geometry & MOs

Info

ID:	249970
PubChem CID:	103093210
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	312.04734
ΔH_f, kcal/mol:	-66.19
Dipole, Da:	2.61
IP(EA), eV:	-8.62(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-bromo-3-nitrophenyl)-N-ethyl-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=CC2=C(C(=C1)Cl)OCCO2)/C

DOS

IR

Vibrations