Geometry & MOs

Info

ID:	420379
PubChem CID:	135112820
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-119.24
Dipole, Da:	2.35
IP(EA), eV:	-9.0(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(pyrrolidine-1-carbonyl)pyridin-2-yl]amino]butanoic acid

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)C(=O)CCCC(=O)O

DOS

IR

Vibrations