Geometry & MOs

Info

ID:	296086
PubChem CID:	117555665
Reduced:	N4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	242.116761
ΔH_f, kcal/mol:	48.6
Dipole, Da:	4.01
IP(EA), eV:	-9.03(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[2-(aminomethyl)pyrimidin-4-yl]amino]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC2=NC(=NC=C2)CN)C

DOS

IR

Vibrations