Geometry & MOs

Info

ID:	344226
PubChem CID:	127267402
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	293.073118
ΔH_f, kcal/mol:	-90.45
Dipole, Da:	2.35
IP(EA), eV:	-9.24(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydropyrazolo[4,3-c]azepin-4-one

Drug info:

PubChemData

Smile

CCCNC(=O)COC1=C(C=CC2=C1N=CC=C2)C(=O)NCC

DOS

IR

Vibrations