Geometry & MOs

Info

ID:	1411
PubChem CID:	4355
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	334.200491
ΔH_f, kcal/mol:	-102.67
Dipole, Da:	1.84
IP(EA), eV:	-9.24(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(4-aminobutylamino)carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NNCCCCN

DOS

IR

Vibrations