Geometry & MOs

Info

ID:	170747
PubChem CID:	75274702
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	338.191818
ΔH_f, kcal/mol:	-67.26
Dipole, Da:	5.4
IP(EA), eV:	-8.32(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-ylamino)-6-[(2,6-difluorophenyl)methyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C=C2C(C1C(=O)N)C3=CC=CC=C3)OC)OC

DOS

IR

Vibrations