Geometry & MOs

Info

ID:	437352
PubChem CID:	135226161
Reduced:	N2O2C25H29 (1)
Stoich.:	A2B2C25D29 (1)
Weight, g/mol:	308.253772
ΔH_f, kcal/mol:	-48.2
Dipole, Da:	4.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.291763
Charge, e:	0

Chem-info

IUPAC name:

4-(2-tert-butyl-3-methylidene-2-propylcyclopropyl)-2,2-dimethylheptane-3-thione

Drug info:

PubChemData

Smile

CC1(CCN2CCC(C3=C4C(=CC1=C32)C=C(C(=O)O4)C5=CC=[N+](C=C5)C)(C)C)C

DOS

IR

Vibrations