Geometry & MOs

Info

ID:	170428
PubChem CID:	75231588
Reduced:	ClON7C20H24 (1)
Stoich.:	ABC7D20E24 (1)
Weight, g/mol:	420.238608
ΔH_f, kcal/mol:	27.6
Dipole, Da:	4.41
IP(EA), eV:	-8.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-[1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]ethyl]-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1COCCN1C2=C(C=C3C=CC=C(C3=N2)Cl)C(C)NC4=NC(=NC(=N4)N)C

DOS

IR

Vibrations