Geometry & MOs

Info

ID:	148636
PubChem CID:	53788304
Reduced:	O5N10C36H46 (1)
Stoich.:	A5B10C36D46 (1)
Weight, g/mol:	124.088815
ΔH_f, kcal/mol:	-130.92
Dipole, Da:	10.39
IP(EA), eV:	-8.6(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylcyclopropyl)but-3-en-2-one

Drug info:

PubChemData

Smile

C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CC(=O)NCC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations