Geometry & MOs

Info

ID:	277222
PubChem CID:	103827347
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	305.14495
ΔH_f, kcal/mol:	-98.31
Dipole, Da:	0.88
IP(EA), eV:	-9.13(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-ethylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)NCC1=CC=C(C=C1)CC

DOS

IR

Vibrations