Geometry & MOs

Info

ID:	194602
PubChem CID:	78560519
Reduced:	BrNO3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	401.06266
ΔH_f, kcal/mol:	-65.74
Dipole, Da:	2.3
IP(EA), eV:	-9.39(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-(2-bromophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN(C)C(=O)COC(=O)C=CC2=CC=CC=C2Br

DOS

IR

Vibrations