Geometry & MOs

Info

ID:	174454
PubChem CID:	75765472
Reduced:	N4C19H23 (1)
Stoich.:	A4B19C23 (1)
Weight, g/mol:	275.095116
ΔH_f, kcal/mol:	95.26
Dipole, Da:	4.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.039942
Charge, e:	1

Chem-info

IUPAC name:

(2-amino-2-oxo-1-phenylethyl)-[(3-chlorophenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C[NH2+]C(C2=CC=CC=C2)C3=CC=CC=N3

DOS

IR

Vibrations