Geometry & MOs

Info

ID:	422928
PubChem CID:	135118628
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-166.75
Dipole, Da:	5.6
IP(EA), eV:	-8.93(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)O

DOS

IR

Vibrations