Geometry & MOs

Info

ID:	415943
PubChem CID:	135088945
Reduced:	ClO2N4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-61.92
Dipole, Da:	4.82
IP(EA), eV:	-9.57(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)C(=O)C3=C(C=NN3)Cl

DOS

IR

Vibrations