Geometry & MOs

Info

ID:	222452
PubChem CID:	85300761
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	330.219495
ΔH_f, kcal/mol:	-60.6
Dipole, Da:	4.84
IP(EA), eV:	-8.72(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5,9-dimethyl-15-methylidene-13-oxotetracyclo[8.6.0.01,14.04,9]hexadecane-5-carboxylate

Drug info:

PubChemData

Smile

C1CC2C(=O)NCCN(CCNC(=O)CN2C1)CC3=CC=CC=C3

DOS

IR

Vibrations