Geometry & MOs

Info

ID:	154756
PubChem CID:	56314274
Reduced:	O2F3N3C23H30 (1)
Stoich.:	A2B3C3D23E30 (1)
Weight, g/mol:	433.216555
ΔH_f, kcal/mol:	-228.93
Dipole, Da:	7.21
IP(EA), eV:	-8.61(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C(C)C)C)C(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations