Geometry & MOs

Info

ID:	332395
PubChem CID:	127250681
Reduced:	N4O4C21H26 (1)
Stoich.:	A4B4C21D26 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-111.02
Dipole, Da:	7.33
IP(EA), eV:	-9.26(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCOC(C1)C2=CC=CC(=N2)C3=CN=C(C=C3)C(=O)NC)OC

DOS

IR

Vibrations