Geometry & MOs

Info

ID:	420688
PubChem CID:	135114668
Reduced:	FON3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	370.109962
ΔH_f, kcal/mol:	-41.06
Dipole, Da:	2.63
IP(EA), eV:	-9.35(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)F)CC(=O)N2CCC(CC2)C3=CC=NC=C3

DOS

IR

Vibrations