Geometry & MOs

Info

ID:	144104
PubChem CID:	53312229
Reduced:	OSN7C24H31 (1)
Stoich.:	ABC7D24E31 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	43.18
Dipole, Da:	4.18
IP(EA), eV:	-8.41(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N(C)C)C(=O)NC2=C(C=C(C=C2)C(C)C)N3CCN(CC3)C4=NC=CN=C4

DOS

IR

Vibrations