Geometry & MOs

Info

ID:	332130
PubChem CID:	127250416
Reduced:	O2N5C26H29 (1)
Stoich.:	A2B5C26D29 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	25.66
Dipole, Da:	3.66
IP(EA), eV:	-7.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]-2-[5-(1H-pyrazol-5-yl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=C1C=CC(=C2)OC)CN3CCOC(C3)C4=NC=C(C=C4)C5=CN=CN=C5

DOS

IR

Vibrations