Geometry & MOs

Info

ID:	394808
PubChem CID:	135023842
Reduced:	N2O3H36C37 (1)
Stoich.:	A2B3C36D37 (1)
Weight, g/mol:	157.110279
ΔH_f, kcal/mol:	-50.36
Dipole, Da:	3.56
IP(EA), eV:	-8.85(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[tert-butyl(methylidene)azaniumyl]-1-methoxyethenolate

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=CC=C1)C2=C(C=C(C=C2)C3=CC=CC(=C3)CCCCN4C(=O)C5=CC=CC=C5C4=O)/C=C/C(=O)N

DOS

IR

Vibrations