Geometry & MOs

Info

ID:	151143
PubChem CID:	53790841
Reduced:	N2O3C25H35 (1)
Stoich.:	A2B3C25D35 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-52.94
Dipole, Da:	1.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775999
Charge, e:	0

Chem-info

IUPAC name:

[2-ethyl-4-(1,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalene-2-carbonyl)pyrazol-3-yl] formate

Drug info:

PubChemData

Smile

CCCC.CCN1C(=C([C-]=N1)C(=O)C2=C(C3=C(CCCC3(C)C)C(=C2)C)C)OC=O

DOS

IR

Vibrations