Geometry & MOs

Info

ID:	414729
PubChem CID:	135087690
Reduced:	O2N5C17H17 (1)
Stoich.:	A2B5C17D17 (1)
Weight, g/mol:	309.216475
ΔH_f, kcal/mol:	51.86
Dipole, Da:	1.22
IP(EA), eV:	-9.02(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C2=NOC(=N2)C3=CC=CC=C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations