Geometry & MOs

Info

ID:	431078
PubChem CID:	135171148
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-112.54
Dipole, Da:	2.99
IP(EA), eV:	-8.33(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)OC3CCNCC3

DOS

IR

Vibrations