Geometry & MOs

Info

ID:	333127
PubChem CID:	127251675
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	420.26376
ΔH_f, kcal/mol:	-65.72
Dipole, Da:	3.41
IP(EA), eV:	-8.48(-0.28)
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-pyridin-2-ylpyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC3=CC4=C(C=C3OC)OCCO4)NC5=CC=CC=N5

DOS

IR

Vibrations