Geometry & MOs

Info

ID:	364490
PubChem CID:	127315742
Reduced:	OF2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	252.129634
ΔH_f, kcal/mol:	-109.09
Dipole, Da:	5.63
IP(EA), eV:	-8.84(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(5-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations