Geometry & MOs

Info

ID:	132442
PubChem CID:	51362264
Reduced:	NO8H13C16 (1)
Stoich.:	AB8C13D16 (1)
Weight, g/mol:	392.148455
ΔH_f, kcal/mol:	-199.46
Dipole, Da:	4.29
IP(EA), eV:	-9.87(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-imidazol-1-ylphenyl)butanediamide

Drug info:

PubChemData

Smile

C1CCC2(C1)OC(=O)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)O2

DOS

IR

Vibrations