Geometry & MOs

Info

ID:	188475
PubChem CID:	77722136
Reduced:	F3O4N11C27H36 (1)
Stoich.:	A3B4C11D27E36 (1)
Weight, g/mol:	425.222703
ΔH_f, kcal/mol:	-243.4
Dipole, Da:	4.88
IP(EA), eV:	-8.66(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol

Drug info:

PubChemData

Smile

C1C(CN(CC1N)C2=NC(N=C(N2)N)(C3=CC(=C(C=C3)NC(=O)C4=C(C=CC(=C4)OC(F)(F)F)O)O)N5CC(CC(C5)N)N)N

DOS

IR

Vibrations