Geometry & MOs

Info

ID:	233157
PubChem CID:	87692664
Reduced:	BN4O7C34H49 (1)
Stoich.:	AB4C7D34E49 (1)
Weight, g/mol:	560.14369
ΔH_f, kcal/mol:	-258.34
Dipole, Da:	2.42
IP(EA), eV:	-9.53(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[3-[1-(iodomethyl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-1,1-diphenylmethanimine

Drug info:

PubChemData

Smile

[B]ON(CCC1CCC1)C(=O)C2CC(CN2C(=O)C(C3CCCCC3)NC(=O)OCC(C)(C)C)OC(=O)N4CC5=CC=CC=C5C4

DOS

IR

Vibrations