Geometry & MOs

Info

ID:	437044
PubChem CID:	135214130
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	359.199762
ΔH_f, kcal/mol:	-23.82
Dipole, Da:	5.01
IP(EA), eV:	-8.47(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(naphthalen-2-ylmethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C[C@H](CC1=CSC=C1)NC2=C(C(=O)C2=O)NC[C@H](CC3=CC=C(C=C3)O)N(C)C

DOS

IR

Vibrations