Geometry & MOs

Info

ID:	437034
PubChem CID:	135213992
Reduced:	ON3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	-23.9
Dipole, Da:	2.51
IP(EA), eV:	-9.24(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]-3-(naphthalen-2-ylmethyl)-1-prop-2-enylurea

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)NC(=O)NCC2CC3=CC=CC=C3CN2

DOS

IR

Vibrations