Geometry & MOs

Info

ID:	377946
PubChem CID:	134224013
Reduced:	ClNO3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	253.240565
ΔH_f, kcal/mol:	-64.56
Dipole, Da:	3.54
IP(EA), eV:	-9.27(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-[ethenyl(ethyl)amino]-3,3,7-trimethyl-4-methylideneoctan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations