Geometry & MOs

Info

ID:	126279
PubChem CID:	50958182
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	353.104338
ΔH_f, kcal/mol:	-70.13
Dipole, Da:	2.16
IP(EA), eV:	-8.9(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-chlorophenyl)-2-(5-methylpyrazin-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C2CC2)C(=O)C3=CC=CC=C3NCC(=O)O

DOS

IR

Vibrations