Geometry & MOs

Info

ID:	364495
PubChem CID:	127315747
Reduced:	FON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	239.109233
ΔH_f, kcal/mol:	-77.93
Dipole, Da:	5.12
IP(EA), eV:	-8.94(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations