Geometry & MOs

Info

ID:	437052
PubChem CID:	135214275
Reduced:	ON3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	367.225977
ΔH_f, kcal/mol:	-21.64
Dipole, Da:	2.43
IP(EA), eV:	-8.78(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-hydroxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-(2-methyl-1-phenylpropan-2-yl)urea

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=CC=C1)NC(=O)NCC2CC3=CC=CC=C3CN2C

DOS

IR

Vibrations