Geometry & MOs

Info

ID:	210110
PubChem CID:	80764031
Reduced:	ON5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	206.153147
ΔH_f, kcal/mol:	-16.48
Dipole, Da:	7.7
IP(EA), eV:	-8.95(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(azepan-1-yl)-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1N2CCNC(=O)C2)NCC

DOS

IR

Vibrations