Geometry & MOs

Info

ID:	348874
PubChem CID:	127274522
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-68.36
Dipole, Da:	2.84
IP(EA), eV:	-9.4(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2-methyl-1,4-oxazepan-4-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CN=C(C=C2)C

DOS

IR

Vibrations