Geometry & MOs

Info

ID:	276131
PubChem CID:	103820809
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-66.6
Dipole, Da:	4.44
IP(EA), eV:	-8.43(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)NC2=CC=CC3=C2C=CC=N3

DOS

IR

Vibrations