Geometry & MOs

Info

ID:	332355
PubChem CID:	127250641
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-49.49
Dipole, Da:	3.24
IP(EA), eV:	-8.71(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-N-methylanilino)-1-[2-[6-(1H-pyrazol-5-yl)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CC=C(C=C4)OC)CN(C)C

DOS

IR

Vibrations