Geometry & MOs

Info

ID:	149257
PubChem CID:	53788929
Reduced:	NOC6H7 (1)
Stoich.:	ABC6D7 (1)
Weight, g/mol:	580.260708
ΔH_f, kcal/mol:	-0.28
Dipole, Da:	2.08
IP(EA), eV:	-9.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propoxy]phenyl]sulfonyl-1-methyl-3-propan-2-ylindol-5-ol

Drug info:

PubChemData

Smile

C1CC(=CN=C1)C=O

DOS

IR

Vibrations