Geometry & MOs

Info

ID:	204487
PubChem CID:	79971132
Reduced:	ClIN2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	107.22
Dipole, Da:	2.21
IP(EA), eV:	-9.43(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopropylphenyl)-2-[2-(diethylamino)ethylamino]acetic acid

Drug info:

PubChemData

Smile

C1CC1C2=CC=CC(=C2)C3=NC(=C(C(=N3)Cl)I)C4CC4

DOS

IR

Vibrations