Geometry & MOs

Info

ID:	421866
PubChem CID:	135116747
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-90.53
Dipole, Da:	5.99
IP(EA), eV:	-9.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

COCC1CCCN(C1)C(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations