Geometry & MOs

Info

ID:	437045
PubChem CID:	135214132
Reduced:	ON3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	343.171834
ΔH_f, kcal/mol:	12.62
Dipole, Da:	3.74
IP(EA), eV:	-8.79(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-3-(1-thiophen-3-ylbutan-2-yl)urea

Drug info:

PubChemData

Smile

CN(CC1=CC2=CC=CC=C2C=C1)C(=O)NC[C@@H]3CC4=CC=CC=C4CN3

DOS

IR

Vibrations