Geometry & MOs

Info

ID:	421213
PubChem CID:	135115595
Reduced:	ON3C23H33 (1)
Stoich.:	AB3C23D33 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-34.59
Dipole, Da:	2.29
IP(EA), eV:	-8.18(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=N2)N3CCCOC(C3)CN4CCCCC4)C)C

DOS

IR

Vibrations