Geometry & MOs

Info

ID:	323140
PubChem CID:	126672870
Reduced:	O14C59H96 (1)
Stoich.:	A14B59C96 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-765.98
Dipole, Da:	6.67
IP(EA), eV:	-9.44(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,5-dimethoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC(C(C)C(C)(CC(=O)O)CC(=O)OCOC(=O)CC/C(=C/CC1=C(C(=C2COC(=O)C2=C1O)C)OC)/C)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations