Geometry & MOs

Info

ID:	332129
PubChem CID:	127250415
Reduced:	ON2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	443.232125
ΔH_f, kcal/mol:	15.21
Dipole, Da:	5.42
IP(EA), eV:	-8.25(-0.57)
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-pyrimidin-5-ylpyridin-2-yl)morpholine

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CN3CCOC(C3)C4=NC=C(C=C4)C5=CC(=CC=C5)C(=O)N

DOS

IR

Vibrations