Geometry & MOs

Info

ID:	152207
PubChem CID:	56311088
Reduced:	BrN4O5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	405.151098
ΔH_f, kcal/mol:	-88.04
Dipole, Da:	4.51
IP(EA), eV:	-8.84(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations