Geometry & MOs

Info

ID:	419564
PubChem CID:	135108421
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-80.64
Dipole, Da:	1.46
IP(EA), eV:	-8.22(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2(CCCC2)C(=O)N(CCO)CC3=NC=CN3

DOS

IR

Vibrations