Geometry & MOs

Info

ID:	250006
PubChem CID:	103093474
Reduced:	ClN2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	209.123821
ΔH_f, kcal/mol:	34.85
Dipole, Da:	2.17
IP(EA), eV:	-8.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-3-methyl-4-(5-methylthiophen-2-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=C2C(=C(C=C1)Cl)C=CC=N2)/C

DOS

IR

Vibrations