Geometry & MOs

Info

ID:	154127
PubChem CID:	56313517
Reduced:	FO3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	425.191483
ΔH_f, kcal/mol:	-159.04
Dipole, Da:	4.55
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=O)N1)CCC(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations