Geometry & MOs

Info

ID:	423943
PubChem CID:	135120821
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-93.58
Dipole, Da:	7.06
IP(EA), eV:	-9.36(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1C)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)C

DOS

IR

Vibrations