Geometry & MOs

Info

ID:	277872
PubChem CID:	103831439
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-34.65
Dipole, Da:	3.28
IP(EA), eV:	-8.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-aminohexanoyl]-N-cyclopropylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC2=C(C=C1)OC(=N2)C3CC3)N

DOS

IR

Vibrations