Geometry & MOs

Info

ID:	403850
PubChem CID:	135062200
Reduced:	N5O5C31H44 (1)
Stoich.:	A5B5C31D44 (1)
Weight, g/mol:	529.281481
ΔH_f, kcal/mol:	-144.77
Dipole, Da:	5.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766036
Charge, e:	1

Chem-info

IUPAC name:

(Z)-3-[benzamido(benzyl)amino]-1-(2,4-dimethylpentan-3-yloxy)-1-hydroxy-3-(4-methoxyphenyl)prop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CC(C)C(C(C)C)O/C(=C(/C(CCNC(=O)OC(C)(C)C)N(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)\[N+]#N)/O

DOS

IR

Vibrations