Geometry & MOs

Info

ID:	152739
PubChem CID:	56311798
Reduced:	ClON3F4C21H22 (1)
Stoich.:	ABC3D4E21F22 (1)
Weight, g/mol:	360.196154
ΔH_f, kcal/mol:	-210.03
Dipole, Da:	3.78
IP(EA), eV:	-9.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)CC3=CC=CC=C3F

DOS

IR

Vibrations