Geometry & MOs

Info

ID:	416014
PubChem CID:	135089019
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-10.97
Dipole, Da:	8.41
IP(EA), eV:	-9.89(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(3-imidazol-1-ylpropoxy)phenyl]methyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)N3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations