Geometry & MOs

Info

ID:	129302
PubChem CID:	51072219
Reduced:	NOH9C11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	153.090212
ΔH_f, kcal/mol:	15.28
Dipole, Da:	2.93
IP(EA), eV:	-9.45(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,5,6,7,8-hexahydro-1H-pyrazolo[3,4-d]azepin-3-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)N=CC=C2)C=O

DOS

IR

Vibrations