Geometry & MOs

Info

ID:	214311
PubChem CID:	84975043
Reduced:	ClO2N3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	358.06808
ΔH_f, kcal/mol:	-85.53
Dipole, Da:	2.36
IP(EA), eV:	-9.2(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromophenyl)-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)Cl)C(=O)CN2CCCC(C2)C(=O)N

DOS

IR

Vibrations