Geometry & MOs

Info

ID:	333434
PubChem CID:	127251986
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-60.59
Dipole, Da:	4.09
IP(EA), eV:	-8.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(4-methoxyphenyl)methyl]pyridin-3-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NC=C(C=C2)C3CCCCN3C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations