Geometry & MOs

Info

ID:	43119
PubChem CID:	10318729
Reduced:	O4N7C18H21 (1)
Stoich.:	A4B7C18D21 (1)
Weight, g/mol:	401.146345
ΔH_f, kcal/mol:	-61.72
Dipole, Da:	3.23
IP(EA), eV:	-8.77(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=N/NC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N

DOS

IR

Vibrations