Geometry & MOs

Info

ID:	402939
PubChem CID:	135057959
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	265.121512
ΔH_f, kcal/mol:	-107.77
Dipole, Da:	5.1
IP(EA), eV:	-9.06(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-pyrimidin-2-ylindol-2-yl)butanal

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)CCCC(C)(C)C1=CNC2=C1C=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations