Geometry & MOs

Info

ID:	56066
PubChem CID:	17404152
Reduced:	ClOSN3H14C16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	55.41
Dipole, Da:	6.72
IP(EA), eV:	-8.84(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=NN=C2SCC3=CC=CC=C3Cl

DOS

IR

Vibrations