Geometry & MOs

Info

ID:	448711
PubChem CID:	135292925
Reduced:	NC4H5 (2)
Stoich.:	AB4C5 (2)
Weight, g/mol:	512.251144
ΔH_f, kcal/mol:	50.0
Dipole, Da:	0.96
IP(EA), eV:	-9.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[2-[2-[2-[4-(piperazin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1C=CN=CC1CC#N

DOS

IR

Vibrations