Geometry & MOs

Info

ID:	445701
PubChem CID:	135268987
Reduced:	FO2N5H24C26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	452.191149
ΔH_f, kcal/mol:	0.12
Dipole, Da:	2.56
IP(EA), eV:	-8.63(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2-[2-(1,1-difluoroethyl)phenyl]-6-(3-hydroxypropyl)-6,7-dihydro-4H-cyclohepta[d]imidazole-5,8-dione

Drug info:

PubChemData

Smile

CC1=C(C(C(=O)N1)C2=C(C=CC(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)N=CC=C

DOS

IR

Vibrations