Geometry & MOs

Info

ID:	197376
PubChem CID:	78959126
Reduced:	NOC10H23 (1)
Stoich.:	ABC10D23 (1)
Weight, g/mol:	310.090662
ΔH_f, kcal/mol:	-77.86
Dipole, Da:	1.3
IP(EA), eV:	-8.74(2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]phenol

Drug info:

PubChemData

Smile

CCCC(C(C)COC)NCC

DOS

IR

Vibrations