Geometry & MOs

Info

ID:	29665
PubChem CID:	836320
Reduced:	ON6C15H28 (1)
Stoich.:	AB6C15D28 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-38.05
Dipole, Da:	2.37
IP(EA), eV:	-8.92(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-propan-2-ylphenyl) cyclopropanecarboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C)NC1=NC(=NC(=N1)N2CCOCC2)NC(C)(C)C

DOS

IR

Vibrations