Geometry & MOs

Info

ID:	122203
PubChem CID:	50798102
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-11.01
Dipole, Da:	7.5
IP(EA), eV:	-8.4(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-N-cycloheptyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCC4CCCO4

DOS

IR

Vibrations