Geometry & MOs

Info

ID:	186131
PubChem CID:	77395309
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-27.05
Dipole, Da:	4.41
IP(EA), eV:	-8.84(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-3-(3-methyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCN1C=C2C(=NC1=O)N=C3C(C=CC=C3O2)OCCCN

DOS

IR

Vibrations