Geometry & MOs

Info

ID:	413157
PubChem CID:	135086102
Reduced:	NOH19C20 (1)
Stoich.:	ABC19D20 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	38.41
Dipole, Da:	2.36
IP(EA), eV:	-8.16(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(E)-prop-1-enyl]indol-1-yl]butanal

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=CN(C3=CC=CC=C32)CCCC=O

DOS

IR

Vibrations