Geometry & MOs

Info

ID:	314726
PubChem CID:	126622876
Reduced:	PO3C38H57 (1)
Stoich.:	AB3C38D57 (1)
Weight, g/mol:	278.98949
ΔH_f, kcal/mol:	-216.41
Dipole, Da:	4.1
IP(EA), eV:	-9.04(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetyl-5-bromoindol-1-yl)acetaldehyde

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC=C(C=C1)P(C2=C(C=C(C=C2)C(C)(C)CC)C3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)(O)(O)O

DOS

IR

Vibrations