Geometry & MOs

Info

ID:	123526
PubChem CID:	50852466
Reduced:	OCl2N2H24C27 (1)
Stoich.:	AB2C2D24E27 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	22.7
Dipole, Da:	5.19
IP(EA), eV:	-8.61(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclohexylamino)quinazolin-2-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCOCC1=CC(=C2C(=CC(=CC2=N1)Cl)Cl)NCC3C4=CC=CC=C4CC5=CC=CC=C35

DOS

IR

Vibrations