Geometry & MOs

Info

ID:	435245
PubChem CID:	135186001
Reduced:	ClON6C23H27 (1)
Stoich.:	ABC6D23E27 (1)
Weight, g/mol:	333.135638
ΔH_f, kcal/mol:	16.11
Dipole, Da:	4.99
IP(EA), eV:	-8.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[6-(aminomethyl)pyrimidin-4-yl]piperazin-1-yl]-phenylmethanone;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC(=C3)CNC4=NC=NC(=C4)CN.Cl

DOS

IR

Vibrations