Geometry & MOs

Info

ID:	225321
PubChem CID:	85756473
Reduced:	N4O7C26H40 (1)
Stoich.:	A4B7C26D40 (1)
Weight, g/mol:	262.121846
ΔH_f, kcal/mol:	-267.02
Dipole, Da:	8.85
IP(EA), eV:	-10.26(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azido-N-but-2-ynyl-N-phenylaniline

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations