Geometry & MOs

Info

ID:	43681
PubChem CID:	10321640
Reduced:	N3C14H16 (2)
Stoich.:	A3B14C16 (2)
Weight, g/mol:	452.282764
ΔH_f, kcal/mol:	80.07
Dipole, Da:	3.93
IP(EA), eV:	-7.84(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC(C)NC1=CC2=C(C=C1)N=C(N2)C3=CC=CC=C3C4=NC5=C(N4)C=C(C=C5)NC(C)CC

DOS

IR

Vibrations