Geometry & MOs

Info

ID:	421385
PubChem CID:	135115902
Reduced:	ClN2O3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-131.58
Dipole, Da:	7.37
IP(EA), eV:	-7.98(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)CN(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2)Cl)OCC

DOS

IR

Vibrations