Geometry & MOs

Info

ID:	261873
PubChem CID:	103256427
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	198.100442
ΔH_f, kcal/mol:	-91.1
Dipole, Da:	3.27
IP(EA), eV:	-9.62(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC1NC(=O)CCNCC2=CC(=CC=C2)C(=O)O

DOS

IR

Vibrations