Geometry & MOs

Info

ID:	163779
PubChem CID:	74374236
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	24.53
Dipole, Da:	1.42
IP(EA), eV:	-8.68(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6-(1-methylpyrrolidin-3-yl)oxy-1,3,5-triazin-2-yl]phenol

Drug info:

PubChemData

Smile

C1CN(C(C2=CC=CC=C21)CO)C3=NC(=NC(=N3)N4CCOCC4)C5=CC6=C(C=C5)NC=C6

DOS

IR

Vibrations