Geometry & MOs

Info

ID:	418019
PubChem CID:	135103322
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-124.96
Dipole, Da:	6.84
IP(EA), eV:	-8.43(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N2C[C@H]([C@H](C2)O)CC3=NNC(=C3)C)OCC

DOS

IR

Vibrations