Geometry & MOs

Info

ID:	417357
PubChem CID:	135092658
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-112.23
Dipole, Da:	7.46
IP(EA), eV:	-8.25(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)CCOC3=CC(=CC=C3)OC(C)C

DOS

IR

Vibrations