Geometry & MOs

Info

ID:	364451
PubChem CID:	127315703
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	268.13872
ΔH_f, kcal/mol:	-36.51
Dipole, Da:	5.11
IP(EA), eV:	-8.82(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2CCCC3=CC=CC=C23)C

DOS

IR

Vibrations