Geometry & MOs

Info

ID:	38154
PubChem CID:	8027457
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	370.168128
ΔH_f, kcal/mol:	-119.25
Dipole, Da:	8.09
IP(EA), eV:	-9.12(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-ethenyl-3-(2-phenylquinoline-4-carbonyl)azepan-2-one

Drug info:

PubChemData

Smile

COC1=CC2=CC=CC=C2C=C1C(=O)[C@H]3CCCN(C3=O)C=O

DOS

IR

Vibrations