Geometry & MOs

Info

ID:	146547
PubChem CID:	53703911
Reduced:	NPC6O6H12 (1)
Stoich.:	ABC6D6E12 (1)
Weight, g/mol:	174.06808
ΔH_f, kcal/mol:	-321.46
Dipole, Da:	7.67
IP(EA), eV:	-10.05(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-buta-1,3-dienylbenzoic acid

Drug info:

PubChemData

Smile

CC(C(=O)C[C@@H](C(=O)O)N)P(=O)(O)O

DOS

IR

Vibrations