Geometry & MOs

Info

ID:	153308
PubChem CID:	56312488
Reduced:	FO2N3C26H32 (1)
Stoich.:	AB2C3D26E32 (1)
Weight, g/mol:	477.217618
ΔH_f, kcal/mol:	-100.45
Dipole, Da:	5.69
IP(EA), eV:	-8.91(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations