Geometry & MOs

Info

ID:	429478
PubChem CID:	135169527
Reduced:	O2N5H33C56 (1)
Stoich.:	A2B5C33D56 (1)
Weight, g/mol:	125.084064
ΔH_f, kcal/mol:	244.79
Dipole, Da:	3.71
IP(EA), eV:	-8.12(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl N-ethenylethanimidate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)OC5=CC=CC=C54)C6=CC=CC(=C6)C7=CC(=CC=C7)N8C9=CC1=CC=CC=C1C=C9C1=C8C2=C(C=C1)N=C(O2)C1=CC=CC=C1

DOS

IR

Vibrations