Geometry & MOs

Info

ID:	48639
PubChem CID:	11110205
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	326.210661
ΔH_f, kcal/mol:	-41.64
Dipole, Da:	1.73
IP(EA), eV:	-8.39(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-4-benzyl-2-methylpiperazin-1-yl]-4-(methoxymethyl)-6-methylpyrimidine

Drug info:

PubChemData

Smile

CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CC[C@]4(C3=NC5=C4C=C(C=C5)OC)O

DOS

IR

Vibrations