Geometry & MOs

Info

ID:	445301
PubChem CID:	135265988
Reduced:	ON3C16H23 (2)
Stoich.:	AB3C16D23 (2)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-58.58
Dipole, Da:	5.68
IP(EA), eV:	-9.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-(4-hydroxypiperidine-1-carbonyl)-4H-azepin-6-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C(CC)CCC(C)C(=O)NCCCN(C)C)NC3=NC=C(C=C3)C#N

DOS

IR

Vibrations