Geometry & MOs

Info

ID:	198481
PubChem CID:	79107256
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	174.090546
ΔH_f, kcal/mol:	26.52
Dipole, Da:	6.89
IP(EA), eV:	-9.3(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-pyrrol-1-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C=C1)CC2=NOC(=N2)C3CC3

DOS

IR

Vibrations