Geometry & MOs

Info

ID:	221304
PubChem CID:	85267555
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	394.235539
ΔH_f, kcal/mol:	-116.65
Dipole, Da:	5.49
IP(EA), eV:	-9.23(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-diacetyloxypropan-2-yl 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1C2C(CCN2C(=O)C1O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations