Geometry & MOs

Info

ID:	325389
PubChem CID:	126683036
Reduced:	N3H16C25 (2)
Stoich.:	A3B16C25 (2)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	272.06
Dipole, Da:	0.51
IP(EA), eV:	-8.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylidene-3,4-di(propan-2-yl)oxolan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5C(C6=CC7=CC=CC=C7C=C64)N(C8=CC9=CC=CC=C9C=C58)C1=NC2=CC=CC=C2C(=N1)C1=CC=CC=C1

DOS

IR

Vibrations