Geometry & MOs

Info

ID:	371398
PubChem CID:	127346247
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-54.27
Dipole, Da:	3.16
IP(EA), eV:	-9.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(oxolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C(C)N3CCN(CC3)C(=O)CC4CCOC4

DOS

IR

Vibrations