Geometry & MOs

Info

ID:	344234
PubChem CID:	127267410
Reduced:	NSF3O4H12C14 (1)
Stoich.:	ABC3D4E12F14 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	-285.38
Dipole, Da:	3.72
IP(EA), eV:	-8.96(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methylphenyl)ethyl]-5,6,7,8-tetrahydropyrazolo[4,3-c]azepin-4-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=CC=C2S1)OCC(=O)NCC(F)(F)F

DOS

IR

Vibrations