Geometry & MOs

Info

ID:	128547
PubChem CID:	51049594
Reduced:	ON6C19H34 (1)
Stoich.:	AB6C19D34 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-40.39
Dipole, Da:	2.97
IP(EA), eV:	-7.86(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(3-methoxyphenyl)methyl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCNC1=C2C(=NC(=N1)N3CCCCC3CCO)N(CN2)C(C)C

DOS

IR

Vibrations