Geometry & MOs

Info

ID:	436785
PubChem CID:	135211446
Reduced:	NO6C21H25 (1)
Stoich.:	AB6C21D25 (1)
Weight, g/mol:	486.299476
ΔH_f, kcal/mol:	-202.8
Dipole, Da:	2.69
IP(EA), eV:	-9.05(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-ethyl-2-formyl-5-[4-(3-hydroxypropylamino)piperidin-1-yl]phenyl]propan-2-yl]-3-methyl-1H-indole-6-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C(=O)C3=C(C2(C)C)C=C(C=C3)OC[C@H]([C@@H](CO)O)O)C=NC

DOS

IR

Vibrations