Geometry & MOs

Info

ID:	387512
PubChem CID:	134985650
Reduced:	NbP2N4C48H71 (1)
Stoich.:	AB2C4D48E71 (1)
Weight, g/mol:	203.105862
ΔH_f, kcal/mol:	39.33
Dipole, Da:	12.49
IP(EA), eV:	-7.2(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azidomethyl)-1-phenylbutan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[N-]CC(C)(C)C)C.CC1=CC(=CC(=C1)[N-]CC(C)(C)C)C.CC1=CC(=CC(=C1)[N-]CC(C)(C)C)C.CC1=CC(=C(C(=C1)C)N=P#P)C.[Nb+3]

DOS

IR

Vibrations