Geometry & MOs

Info

ID:	332956
PubChem CID:	127251380
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-41.01
Dipole, Da:	3.11
IP(EA), eV:	-9.48(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(6-aminopyridin-3-yl)-6-methylpyridin-2-yl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=CN=C(N=C3C)C)C4=CN=C(C=C4)C(=O)NC

DOS

IR

Vibrations