Geometry & MOs

Info

ID:	364498
PubChem CID:	127315750
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	268.13872
ΔH_f, kcal/mol:	-104.35
Dipole, Da:	5.85
IP(EA), eV:	-8.84(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2CCCN2C(=O)C(C)C)C

DOS

IR

Vibrations