Geometry & MOs

Info

ID:	170673
PubChem CID:	75266755
Reduced:	O3N4C13H21 (1)
Stoich.:	A3B4C13D21 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-97.78
Dipole, Da:	5.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756101
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2-methylcyclopropyl)furan-2-yl]-1-(2-methylmorpholin-4-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)OCCCNC1=[N+](C(=O)N(C(=O)C1C#N)C)C

DOS

IR

Vibrations