Geometry & MOs

Info

ID:	358584
PubChem CID:	127296343
Reduced:	N2O3C23H32 (1)
Stoich.:	A2B3C23D32 (1)
Weight, g/mol:	386.210661
ΔH_f, kcal/mol:	-119.22
Dipole, Da:	4.6
IP(EA), eV:	-8.8(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CCCC2)C(=O)NC3CCN(CC3)C(=O)C4CC4)OC

DOS

IR

Vibrations