Geometry & MOs

Info

ID:	275746
PubChem CID:	103817375
Reduced:	O2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	-31.35
Dipole, Da:	6.38
IP(EA), eV:	-9.93(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1O)C(=O)C2=CN=NC=C2

DOS

IR

Vibrations