Geometry & MOs

Info

ID:	84852
PubChem CID:	49870328
Reduced:	O2F3N4H23C26 (1)
Stoich.:	A2B3C4D23E26 (1)
Weight, g/mol:	483.194277
ΔH_f, kcal/mol:	-162.18
Dipole, Da:	3.81
IP(EA), eV:	-8.6(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-methylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

CC(=O)N1CCCC2=C(C1)C3=C(N2C)C=C(C=C3)N4C=CC(=CC4=O)C5=CN=C(C=C5)C(F)(F)F

DOS

IR

Vibrations