Geometry & MOs

Info

ID:	230678
PubChem CID:	87571640
Reduced:	ClO3N9C24H30 (1)
Stoich.:	AB3C9D24E30 (1)
Weight, g/mol:	302.172939
ΔH_f, kcal/mol:	-34.67
Dipole, Da:	14.93
IP(EA), eV:	-9.3(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butoxy-2-methylidenebutanoic acid;4-methoxy-2-methylidenebutanoic acid

Drug info:

PubChemData

Smile

C1CC1NC2=CC(=NN3C2=NC=C3C(=O)NC4=CC(=NC=C4)Cl)NC5CCC(CC5)NC(=O)[C@@H](CO)N

DOS

IR

Vibrations