Geometry & MOs

Info

ID:	338590
PubChem CID:	127259601
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	286.19328
ΔH_f, kcal/mol:	6.52
Dipole, Da:	4.18
IP(EA), eV:	-9.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-hept-1-enyl]-3-hydroxy-5-(3-methylbut-2-enyl)benzaldehyde

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](N1C(=O)C2=CC3=CC=CC=C3C=C2)C(C)C

DOS

IR

Vibrations