Geometry & MOs

Info

ID:	364513
PubChem CID:	127315765
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	286.129298
ΔH_f, kcal/mol:	-75.23
Dipole, Da:	3.58
IP(EA), eV:	-8.81(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2(CC2)C(=O)NC)C

DOS

IR

Vibrations