Geometry & MOs

Info

ID:	333057
PubChem CID:	127251481
Reduced:	ClO2N4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-7.18
Dipole, Da:	6.48
IP(EA), eV:	-9.27(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(3-methoxyphenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=NNC4=C3CCC4)CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations