Geometry & MOs

Info

ID:	364485
PubChem CID:	127315737
Reduced:	OSN2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	268.13872
ΔH_f, kcal/mol:	-35.48
Dipole, Da:	5.23
IP(EA), eV:	-8.63(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC3=C(S2)CCCC3)C

DOS

IR

Vibrations