Geometry & MOs

Info

ID:	348832
PubChem CID:	127274480
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-81.55
Dipole, Da:	4.23
IP(EA), eV:	-9.28(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methyl-1,4-oxazepane-4-carbonyl)cyclohexyl]acetamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CC=CC3=C2CCC3

DOS

IR

Vibrations