Geometry & MOs

Info

ID:	84105
PubChem CID:	49864193
Reduced:	NO2C30H43 (1)
Stoich.:	AB2C30D43 (1)
Weight, g/mol:	421.141786
ΔH_f, kcal/mol:	-104.51
Dipole, Da:	4.87
IP(EA), eV:	-9.09(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-chloro-2-cyanopyrimidin-4-yl)-4-methyl-N'-(2-methylpropyl)-2-phenylpyrimidine-5-carbohydrazide

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=CC(=CN1)[C@@H]2CC[C@]3([C@]2(CC[C@H]4C3=CCC5[C@@]4(CCC(=O)C5(C)C)C)C)C

DOS

IR

Vibrations