Geometry & MOs

Info

ID:	415679
PubChem CID:	135088678
Reduced:	ON7C20H27 (1)
Stoich.:	AB7C20D27 (1)
Weight, g/mol:	376.130218
ΔH_f, kcal/mol:	17.27
Dipole, Da:	4.24
IP(EA), eV:	-8.78(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenoxy)-1-[4-(5-methyl-1H-imidazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C2CCCC2=NC(=N1)CCNC(=O)CN3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations