Geometry & MOs

Info

ID:	364502
PubChem CID:	127315754
Reduced:	ClFON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-74.75
Dipole, Da:	5.33
IP(EA), eV:	-8.69(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,7-dimethyl-1,4-diazepane-1-carbonyl)-1-methylpiperidin-2-one

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=C(C=CC=C2Cl)F)C

DOS

IR

Vibrations