Geometry & MOs

Info

ID:	351020
PubChem CID:	127279457
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	-105.64
Dipole, Da:	5.07
IP(EA), eV:	-8.21(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)N2CCCC2C3CCC3)N4CCCC4=O

DOS

IR

Vibrations