Geometry & MOs

Info

ID:	74118
PubChem CID:	48421483
Reduced:	O4N5C14H21 (1)
Stoich.:	A4B5C14D21 (1)
Weight, g/mol:	334.152872
ΔH_f, kcal/mol:	-121.96
Dipole, Da:	4.58
IP(EA), eV:	-8.87(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[1,3-benzodioxol-5-ylmethylcarbamoyl(cyclopropyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)C(=O)NC2=CN(N=C2)CC(=O)N

DOS

IR

Vibrations