Geometry & MOs

Info

ID:	414732
PubChem CID:	135087693
Reduced:	FO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	-55.08
Dipole, Da:	5.78
IP(EA), eV:	-9.23(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-4-oxo-N-[(3-propoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3F

DOS

IR

Vibrations