Geometry & MOs

Info

ID:	414518
PubChem CID:	135087477
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	380.161518
ΔH_f, kcal/mol:	-79.79
Dipole, Da:	2.45
IP(EA), eV:	-8.81(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-2-[[2-(dimethylamino)ethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1C[C@@]2(CCN(C[C@H]2NC1)CC(=O)NC3=CC=CC=C3)CO

DOS

IR

Vibrations