Geometry & MOs

Info

ID:	163778
PubChem CID:	74374233
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	-78.35
Dipole, Da:	4.29
IP(EA), eV:	-9.1(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(1H-indol-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=NC(=NC(=N2)N3CCC4=CC=CC=C4C3CO)N5CCOCC5

DOS

IR

Vibrations