Geometry & MOs

Info

ID:	420813
PubChem CID:	135114870
Reduced:	N4C7H8 (2)
Stoich.:	A4B7C8 (2)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	142.88
Dipole, Da:	4.95
IP(EA), eV:	-8.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1NCC2=C(N=CC=C2)N3C=NC=N3

DOS

IR

Vibrations