Geometry & MOs

Info

ID:	186195
PubChem CID:	77402153
Reduced:	N5O5C19H31 (1)
Stoich.:	A5B5C19D31 (1)
Weight, g/mol:	334.214409
ΔH_f, kcal/mol:	-212.9
Dipole, Da:	6.43
IP(EA), eV:	-9.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methyl-7-oxo-8-oxatricyclo[4.3.0.02,4]nonan-9-yl)methyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate

Drug info:

PubChemData

Smile

CC1CC2C(CC1C)N(C3C(N2)C(=O)NC(=C)N3)CCNC(CC(=O)O)C(=O)O

DOS

IR

Vibrations