Geometry & MOs

Info

ID:	179591
PubChem CID:	76506316
Reduced:	N3O3C11H15 (2)
Stoich.:	A3B3C11D15 (2)
Weight, g/mol:	384.262422
ΔH_f, kcal/mol:	-191.26
Dipole, Da:	2.28
IP(EA), eV:	-9.0(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-tert-butyl 4-O-methyl 5-(1-acetamido-3-ethylpentyl)pyrrolidine-2,4-dicarboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=O)CCNC(=O)NC2CCN(C2=O)C3=CC=C(C=C3)CN=NOC(=O)N

DOS

IR

Vibrations