Geometry & MOs

Info

ID:	221446
PubChem CID:	85273709
Reduced:	SN4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	308.198759
ΔH_f, kcal/mol:	90.27
Dipole, Da:	5.7
IP(EA), eV:	-8.55(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methoxymethoxy)-4,6-dimethyl-7-phenylmethoxyhept-2-en-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=C(C#N)C(=S)NC2=CC=CC=C2)N

DOS

IR

Vibrations