Geometry & MOs

Info

ID:	332249
PubChem CID:	127250535
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	364.201159
ΔH_f, kcal/mol:	0.78
Dipole, Da:	5.25
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(6-pyrimidin-5-ylpyridin-2-yl)morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=CC=CC(=N3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations