Geometry & MOs

Info

ID:	214298
PubChem CID:	84974990
Reduced:	O2N3C16H30 (1)
Stoich.:	A2B3C16D30 (1)
Weight, g/mol:	364.0245
ΔH_f, kcal/mol:	-106.38
Dipole, Da:	2.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756046
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromothiophen-2-yl)-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)C(C)[NH+]2CCCC(C2)C(=O)N)C

DOS

IR

Vibrations