Geometry & MOs

Info

ID:	364454
PubChem CID:	127315706
Reduced:	ClFON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-70.03
Dipole, Da:	4.16
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(2-methylfuran-3-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations