Geometry & MOs

Info

ID:	432560
PubChem CID:	135172693
Reduced:	O3N4H30C31 (1)
Stoich.:	A3B4C30D31 (1)
Weight, g/mol:	221.164046
ΔH_f, kcal/mol:	-10.67
Dipole, Da:	8.55
IP(EA), eV:	-8.43(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(piperazin-1-ylmethyl)pyrimidin-5-yl]ethanamine

Drug info:

PubChemData

Smile

C1CN(CCC1C(CC2C3=CC=CC=C3C4=CN=CN24)O)C(=O)COC5=CC6=C(C=C5)NC7=CC=CC=C76

DOS

IR

Vibrations