Geometry & MOs

Info

ID:	332095
PubChem CID:	127250381
Reduced:	O3N5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	14.67
Dipole, Da:	1.52
IP(EA), eV:	-9.72(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CN=CN=C4

DOS

IR

Vibrations