Geometry & MOs

Info

ID:	170427
PubChem CID:	75231521
Reduced:	LiSN5O7C21H26 (1)
Stoich.:	ABC5D7E21F26 (1)
Weight, g/mol:	413.173086
ΔH_f, kcal/mol:	-304.95
Dipole, Da:	4.63
IP(EA), eV:	-9.01(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[1-[8-chloro-2-(3-methylmorpholin-4-yl)quinolin-3-yl]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

[Li+].CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C(CC(=O)NC)N)C(=O)[O-])C

DOS

IR

Vibrations