Geometry & MOs

Info

ID:	262017
PubChem CID:	103266518
Reduced:	N2O4C11H22 (1)
Stoich.:	A2B4C11D22 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-194.37
Dipole, Da:	4.58
IP(EA), eV:	-9.24(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(pent-3-ynylamino)methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OCCNCC(C(=O)OC)NC(=O)C

DOS

IR

Vibrations