Geometry & MOs

Info

ID:	147721
PubChem CID:	53787378
Reduced:	N2O9C14H18 (1)
Stoich.:	A2B9C14D18 (1)
Weight, g/mol:	174.104465
ΔH_f, kcal/mol:	-292.02
Dipole, Da:	5.34
IP(EA), eV:	-10.36(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylphenyl)methylidene]butanal

Drug info:

PubChemData

Smile

CC(=O)N[C@]1([C@H]([C@@H]([C@H](O[C@H]1OC2=CC=C(C=C2)[N+](=O)[O-])CO)O)O)O

DOS

IR

Vibrations