Geometry & MOs

Info

ID:	420106
PubChem CID:	135111161
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	-117.31
Dipole, Da:	6.53
IP(EA), eV:	-9.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-4-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)C(=O)C3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations