Geometry & MOs

Info

ID:	312033
PubChem CID:	126602125
Reduced:	O2N3H19C25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	68.76
Dipole, Da:	4.03
IP(EA), eV:	-8.44(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(4-azidobut-1-ynyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC(=C3C(=C2)N(C4=C3C=C(C=C4)O)CC5=CC=CC=C5)C#N

DOS

IR

Vibrations