Geometry & MOs

Info

ID:	75216
PubChem CID:	48423183
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	357.166411
ΔH_f, kcal/mol:	-129.41
Dipole, Da:	3.4
IP(EA), eV:	-9.06(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2CN(CCO2)CC3=CC=CC=C3

DOS

IR

Vibrations