Geometry & MOs

Info

ID:	154767
PubChem CID:	56314289
Reduced:	FON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	392.20124
ΔH_f, kcal/mol:	-25.34
Dipole, Da:	2.98
IP(EA), eV:	-8.78(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2N1CC(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations