Geometry & MOs

Info

ID:	418809
PubChem CID:	135106837
Reduced:	ClOSN3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	12.72
Dipole, Da:	4.77
IP(EA), eV:	-8.63(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C3=NC=C(C=N3)Cl)C4=C1C=CS4

DOS

IR

Vibrations