Geometry & MOs

Info

ID:	360441
PubChem CID:	127301086
Reduced:	OS2N4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	21.17
Dipole, Da:	6.36
IP(EA), eV:	-8.79(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[2-(1-methylpyrrolidine-2-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]urea

Drug info:

PubChemData

Smile

CC1CCC(N1C(C)C(=O)NC2=NC(=NS2)C3=CSC=C3)C

DOS

IR

Vibrations