Geometry & MOs

Info

ID:	249992
PubChem CID:	103093376
Reduced:	N4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	82.74
Dipole, Da:	2.7
IP(EA), eV:	-8.71(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-3-methyl-4-(4-methyl-3-nitrophenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=NN(N=C1)C2=CC=CC=C2)/C

DOS

IR

Vibrations