Geometry & MOs

Info

ID:	415214
PubChem CID:	135088206
Reduced:	NSO4C21H29 (1)
Stoich.:	ABC4D21E29 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-159.36
Dipole, Da:	8.07
IP(EA), eV:	-9.17(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)S(=O)(=O)C3=C4CCCCC4=C(C=C3)OC)OCC1

DOS

IR

Vibrations