Geometry & MOs

Info

ID:	175902
PubChem CID:	75966941
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	593.273715
ΔH_f, kcal/mol:	47.09
Dipole, Da:	5.58
IP(EA), eV:	-9.19(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;N-[(2,6-dimethoxyphenyl)methyl]-5-[2-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C(=CC1=CC2=C(C=C1)NN=C2)C#N

DOS

IR

Vibrations