Geometry & MOs

Info

ID:	216707
PubChem CID:	85086651
Reduced:	OSN2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	294.183109
ΔH_f, kcal/mol:	28.18
Dipole, Da:	7.64
IP(EA), eV:	-8.9(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxy-4,4-dimethyl-1-phenylmethoxypentan-2-yl) acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC(=C3C=CC(=O)C=C3)NC(=S)N2

DOS

IR

Vibrations