Geometry & MOs

Info

ID:	261801
PubChem CID:	103252134
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	302.104876
ΔH_f, kcal/mol:	-38.29
Dipole, Da:	5.16
IP(EA), eV:	-9.31(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[2-(methanesulfonamido)-2-methylpropyl]amino]methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)CNCC1=CC=NN1C

DOS

IR

Vibrations