Geometry & MOs

Info

ID:	289411
PubChem CID:	104351747
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	273.132471
ΔH_f, kcal/mol:	-40.44
Dipole, Da:	4.11
IP(EA), eV:	-8.1(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCC(C2)NC(=O)C)CNC

DOS

IR

Vibrations