Geometry & MOs

Info

ID:	126914
PubChem CID:	50984266
Reduced:	SN3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	369.160103
ΔH_f, kcal/mol:	60.93
Dipole, Da:	3.44
IP(EA), eV:	-8.84(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-fluorophenyl)-2-[3-(2-methoxyethyl)imidazol-4-yl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C)C(C)N(C)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations