Geometry & MOs

Info

ID:	126258
PubChem CID:	50957897
Reduced:	O3N4H18C21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	225.093583
ΔH_f, kcal/mol:	3.22
Dipole, Da:	8.82
IP(EA), eV:	-9.01(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)NCC3=CC(=NO3)C4=CC=CC=N4)C

DOS

IR

Vibrations