Geometry & MOs

Info

ID:	306214
PubChem CID:	125002758
Reduced:	N5C15H23 (1)
Stoich.:	A5B15C23 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	52.42
Dipole, Da:	4.09
IP(EA), eV:	-8.69(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[(2S)-1-methyl-4-(pyrimidin-5-ylmethyl)piperazin-2-yl]benzamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)CN2CC[C@@H](C2)C3=CC=NN3)C

DOS

IR

Vibrations