Geometry & MOs

Info

ID:	348868
PubChem CID:	127274516
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-86.97
Dipole, Da:	2.99
IP(EA), eV:	-9.15(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(2-methyl-1,4-oxazepane-4-carbonyl)piperidin-2-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2CCCC3=CC=CC=C23

DOS

IR

Vibrations