Geometry & MOs

Info

ID:	430926
PubChem CID:	135170996
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	29.56
Dipole, Da:	2.2
IP(EA), eV:	-8.36(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy]benzaldehyde

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=CC=C2)OCC#C)C(=O)C3=NC4=C(C=CC=C4N3)N

DOS

IR

Vibrations