Geometry & MOs

Info

ID:	222350
PubChem CID:	85297148
Reduced:	ClO2N3C22H32 (1)
Stoich.:	AB2C3D22E32 (1)
Weight, g/mol:	398.24571
ΔH_f, kcal/mol:	-63.32
Dipole, Da:	6.2
IP(EA), eV:	-8.92(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-6-[3-(4-methylcyclohex-3-en-1-yl)but-1-enyl]-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

Drug info:

PubChemData

Smile

CC(C)(C)C(C1NC2CCCCC2C(=O)N1N3C(C3C4=CC=CC=C4)CCl)O

DOS

IR

Vibrations