Geometry & MOs

Info

ID:	143101
PubChem CID:	53145867
Reduced:	OSN2C10H10 (2)
Stoich.:	ABC2D10E10 (2)
Weight, g/mol:	411.171355
ΔH_f, kcal/mol:	12.74
Dipole, Da:	3.32
IP(EA), eV:	-8.26(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-2-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)C3=CN=C(C=C3)N4CCSCC4

DOS

IR

Vibrations