Geometry & MOs

Info

ID:	420910
PubChem CID:	135115029
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-146.4
Dipole, Da:	4.02
IP(EA), eV:	-9.02(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@H]1O)(CC2CC2)C(=O)O)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations