Geometry & MOs

Info

ID:	433060
PubChem CID:	135173197
Reduced:	N5O6C34H47 (1)
Stoich.:	A5B6C34D47 (1)
Weight, g/mol:	232.182715
ΔH_f, kcal/mol:	-249.89
Dipole, Da:	11.79
IP(EA), eV:	-8.56(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-4-propan-2-yl-1,3-dihydroisochromene

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C[C@H]2C(=O)NC(C(=O)NCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2)C)CC3=CC=CC=C3)C(C)C

DOS

IR

Vibrations