Geometry & MOs

Info

ID:	156181
PubChem CID:	56369418
Reduced:	S2O3N6C17H18 (1)
Stoich.:	A2B3C6D17E18 (1)
Weight, g/mol:	360.183778
ΔH_f, kcal/mol:	45.49
Dipole, Da:	11.29
IP(EA), eV:	-8.83(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-benzyl-2-hydroxyphenyl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(S1)C=C(S2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations