Geometry & MOs

Info

ID:	364499
PubChem CID:	127315751
Reduced:	OF2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-110.2
Dipole, Da:	5.67
IP(EA), eV:	-8.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4,7-dimethyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations