Geometry & MOs

Info

ID:	421616
PubChem CID:	135116305
Reduced:	O3N5C17H29 (1)
Stoich.:	A3B5C17D29 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-64.43
Dipole, Da:	5.28
IP(EA), eV:	-8.78(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(morpholin-4-ylmethyl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]furan-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@H]1C(=O)N2CCCN(CC2)CC3=NC(=NO3)CCOC

DOS

IR

Vibrations