Geometry & MOs

Info

ID:	249983
PubChem CID:	103093299
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-21.51
Dipole, Da:	3.54
IP(EA), eV:	-8.7(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-3-methyl-4-(3-nitro-4-propan-2-ylphenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=C(C=CC(=C1)Br)OC)/C

DOS

IR

Vibrations