Geometry & MOs

Info

ID:	359809
PubChem CID:	127299853
Reduced:	N7C16H25 (1)
Stoich.:	A7B16C25 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	87.77
Dipole, Da:	8.56
IP(EA), eV:	-8.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-N-methyl-N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C3=NN4C(=NN=C4C=C3)C

DOS

IR

Vibrations