Geometry & MOs

Info

ID:	84647
PubChem CID:	49869069
Reduced:	N3O3C28H33 (1)
Stoich.:	A3B3C28D33 (1)
Weight, g/mol:	489.124005
ΔH_f, kcal/mol:	-59.81
Dipole, Da:	3.61
IP(EA), eV:	-8.29(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC[C@H]2C3=CC(=C(N=C3CCN2[C@H](C4=CC=CC=C4)C(=O)NC)OC)OC

DOS

IR

Vibrations