Geometry & MOs

Info

ID:	155542
PubChem CID:	56365878
Reduced:	O2S2N3C24H27 (1)
Stoich.:	A2B2C3D24E27 (1)
Weight, g/mol:	415.225977
ΔH_f, kcal/mol:	-17.33
Dipole, Da:	6.29
IP(EA), eV:	-9.18(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-N-propyl-3-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=C(N=C(S3)C4=CC=CS4)C

DOS

IR

Vibrations