Geometry & MOs

Info

ID:	419727
PubChem CID:	135108910
Reduced:	N3O3C19H25 (2)
Stoich.:	A3B3C19D25 (2)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-194.4
Dipole, Da:	2.87
IP(EA), eV:	-9.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=CC(=NO4)CC(C)C

DOS

IR

Vibrations