Geometry & MOs

Info

ID:	30028
PubChem CID:	838973
Reduced:	ClN2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	20.83
Dipole, Da:	4.1
IP(EA), eV:	-8.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,4R)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=C[C@@H]2C[C@H](C1)C3=C(C4=C(C=CC(=C4)Cl)N=C3C2)N

DOS

IR

Vibrations