Geometry & MOs

Info

ID:	331418
PubChem CID:	127248825
Reduced:	FON6C21H25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	408.227374
ΔH_f, kcal/mol:	20.17
Dipole, Da:	4.5
IP(EA), eV:	-8.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-N,N-dimethyl-4-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations