Geometry & MOs

Info

ID:	32028
PubChem CID:	4253551
Reduced:	N2O3C11H15 (2)
Stoich.:	A2B3C11D15 (2)
Weight, g/mol:	367.14514
ΔH_f, kcal/mol:	-233.4
Dipole, Da:	0.92
IP(EA), eV:	-7.99(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CCN3CCN(CC3)C(=O)OCC

DOS

IR

Vibrations