Geometry & MOs

Info

ID:	386671
PubChem CID:	134982487
Reduced:	N4O5C30H42 (1)
Stoich.:	A4B5C30D42 (1)
Weight, g/mol:	165.159681
ΔH_f, kcal/mol:	-196.97
Dipole, Da:	4.57
IP(EA), eV:	-9.04(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylidene-5-(trideuteriomethyl)-2,3,6,7,8,8a-hexahydro-1H-naphthalene

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H](N2)C(=O)OCC/C=C/C=C\CCCCC(=O)N1)CC3=CC=CC=C3

DOS

IR

Vibrations