Geometry & MOs

Info

ID:	395760
PubChem CID:	135026473
Reduced:	ON2C23H30 (1)
Stoich.:	AB2C23D30 (1)
Weight, g/mol:	203.105862
ΔH_f, kcal/mol:	1.6
Dipole, Da:	5.81
IP(EA), eV:	-8.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-diazonio-3-[[(1S)-1-phenylethyl]amino]prop-1-en-2-olate

Drug info:

PubChemData

Smile

CC(C)[C@H]1[C@@H]2[C@]3(CC(NC3=C4C=CC=CC4=N2)(C)C)C=C(C1=O)C(C)C

DOS

IR

Vibrations