Geometry & MOs

Info

ID:	74197
PubChem CID:	48421574
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	348.168522
ΔH_f, kcal/mol:	-168.67
Dipole, Da:	5.76
IP(EA), eV:	-8.93(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)C(=O)NCC2=CC=C(C=C2)NC(=O)C(C)C

DOS

IR

Vibrations