Geometry & MOs

Info

ID:	433267
PubChem CID:	135173404
Reduced:	Cl2N4O4C31H32 (1)
Stoich.:	A2B4C4D31E32 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	-91.99
Dipole, Da:	3.0
IP(EA), eV:	-8.54(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-aminophenyl)imidazolidin-1-yl]-(3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)OC1=CC(C2=C3C1(C4=N[C@H]([C@H](N4C(=O)N3CCN2C(=O)C)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)C)OC

DOS

IR

Vibrations