Geometry & MOs

Info

ID:	437033
PubChem CID:	135213990
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	337.215413
ΔH_f, kcal/mol:	-45.49
Dipole, Da:	3.66
IP(EA), eV:	-8.9(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-phenylbutan-2-yl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C=CCN(CC1CC2=C(CN1)C=C(C=C2)O)C(=O)NCCC3CC4=CC=CC=C4C3

DOS

IR

Vibrations