Geometry & MOs

Info

ID:	153920
PubChem CID:	56313260
Reduced:	ClFON3C21H21 (1)
Stoich.:	ABCD3E21F21 (1)
Weight, g/mol:	387.232205
ΔH_f, kcal/mol:	-31.97
Dipole, Da:	4.72
IP(EA), eV:	-8.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[3-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC3=C(N2)C=C(C=C3)Cl)CC4=CC=CC=C4F

DOS

IR

Vibrations