Geometry & MOs

Info

ID:	333128
PubChem CID:	127251676
Reduced:	ON6C24H32 (1)
Stoich.:	AB6C24D32 (1)
Weight, g/mol:	434.27941
ΔH_f, kcal/mol:	26.12
Dipole, Da:	4.03
IP(EA), eV:	-8.42(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methyl-N-(6-methylpyridin-2-yl)pyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC3=C(N(N=C3C)C(C)C)C)NC4=CC=CC=N4

DOS

IR

Vibrations