Geometry & MOs

Info

ID:	233883
PubChem CID:	92126164
Reduced:	ON5C27H31 (1)
Stoich.:	AB5C27D31 (1)
Weight, g/mol:	440.197904
ΔH_f, kcal/mol:	19.98
Dipole, Da:	3.58
IP(EA), eV:	-8.65(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations