Geometry & MOs

Info

ID:	140991
PubChem CID:	52796169
Reduced:	N4O4C23H38 (1)
Stoich.:	A4B4C23D38 (1)
Weight, g/mol:	414.09429
ΔH_f, kcal/mol:	-227.56
Dipole, Da:	4.7
IP(EA), eV:	-9.44(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCN(CC1)C(=O)CN2C(=O)[C@@]3(C[C@H](CC(C3)(C)C)C)NC2=O

DOS

IR

Vibrations