Geometry & MOs

Info

ID:	437051
PubChem CID:	135214273
Reduced:	ON3C25H33 (1)
Stoich.:	AB3C25D33 (1)
Weight, g/mol:	351.231063
ΔH_f, kcal/mol:	-29.86
Dipole, Da:	2.84
IP(EA), eV:	-8.75(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-(2-methyl-1-phenylpropan-2-yl)urea

Drug info:

PubChemData

Smile

CC(C)(CC1CC2=CC=CC=C2C1)NC(=O)NCC3CC4=CC=CC=C4CN3C

DOS

IR

Vibrations