Geometry & MOs

Info

ID:	75236
PubChem CID:	48423214
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-105.11
Dipole, Da:	1.92
IP(EA), eV:	-8.55(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC=CC=C1CNC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations