Geometry & MOs

Info

ID:	144099
PubChem CID:	53311555
Reduced:	N2O5H24C27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	444.26376
ΔH_f, kcal/mol:	-96.6
Dipole, Da:	2.09
IP(EA), eV:	-8.59(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN(C(=O)N2C(=O)/C=C/C3=CC(=C(C(=C3)OC)O)OC)C4=CC=CC=C4

DOS

IR

Vibrations