Geometry & MOs

Info

ID:	171468
PubChem CID:	75381158
Reduced:	N2O3C16H30 (1)
Stoich.:	A2B3C16D30 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-173.13
Dipole, Da:	1.98
IP(EA), eV:	-9.25(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-[(5-nitrothiophen-3-yl)methylamino]phenyl]piperidin-4-yl]methanol

Drug info:

PubChemData

Smile

CCOCCC1(CCCC1)CNC(=O)N2CCCC(C2)O

DOS

IR

Vibrations