Geometry & MOs

Info

ID:	64524
PubChem CID:	29202759
Reduced:	NO2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-117.88
Dipole, Da:	4.56
IP(EA), eV:	-10.02(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(carbamoylamino)-N-(3-methoxypropyl)benzamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC=C

DOS

IR

Vibrations