Geometry & MOs

Info

ID:	200030
PubChem CID:	79334939
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	303.99105
ΔH_f, kcal/mol:	-125.71
Dipole, Da:	2.35
IP(EA), eV:	-9.01(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-bromo-2-(difluoromethoxy)phenyl]methylidene]butanal

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)C=C(CCl)C(C)C)C(=O)OC

DOS

IR

Vibrations