Geometry & MOs

Info

ID:	261706
PubChem CID:	103246608
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	-44.07
Dipole, Da:	5.55
IP(EA), eV:	-9.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CNCC2=CC(=CC=C2)C(=O)O

DOS

IR

Vibrations