Geometry & MOs

Info

ID:	190440
PubChem CID:	78006376
Reduced:	N3O4C31H33 (1)
Stoich.:	A3B4C31D33 (1)
Weight, g/mol:	457.07634
ΔH_f, kcal/mol:	-121.75
Dipole, Da:	8.11
IP(EA), eV:	-8.25(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-iodophenyl)-N-(5-methylpyrazolidin-3-yl)-6-phenylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)CC2=CC3=C(C=C2)C(=O)NCC3)C(=O)NC(CC4=CNC5=CC=CC=C54)CO

DOS

IR

Vibrations