Geometry & MOs

Info

ID:	417311
PubChem CID:	135092030
Reduced:	N5O6H13C15 (1)
Stoich.:	A5B6C13D15 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-117.24
Dipole, Da:	6.13
IP(EA), eV:	-9.83(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)C3=C(C=CC(=C3)N4C=NN=N4)O)C(=O)O)C(=O)O

DOS

IR

Vibrations