Geometry & MOs

Info

ID:	437054
PubChem CID:	135214279
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-63.27
Dipole, Da:	1.85
IP(EA), eV:	-8.76(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]-1,3-dimethyl-3-(2-phenylethyl)urea

Drug info:

PubChemData

Smile

CC(C)(CC1=CSC=C1)NC(=O)NCC2CC3=C(CN2C)C=C(C=C3)O

DOS

IR

Vibrations