Geometry & MOs

Info

ID:	422872
PubChem CID:	135118544
Reduced:	ON6C20H24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	380.150285
ΔH_f, kcal/mol:	31.36
Dipole, Da:	3.54
IP(EA), eV:	-8.25(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-methylphenoxy)-1-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1NCCN2C(=O)C3=CC=CC=C3C=N2)N4CCCC4)C

DOS

IR

Vibrations