Geometry & MOs

Info

ID:	128607
PubChem CID:	51051938
Reduced:	N5O5C12H17 (1)
Stoich.:	A5B5C12D17 (1)
Weight, g/mol:	256.097855
ΔH_f, kcal/mol:	-51.25
Dipole, Da:	2.46
IP(EA), eV:	-8.53(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2-methoxyphenyl)cyclobutanecarboxamide;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2=NC(=NN2)N)OC.[N+](=O)(O)[O-]

DOS

IR

Vibrations