Geometry & MOs

Info

ID:	133214
PubChem CID:	51494478
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	6.72
IP(EA), eV:	-8.4(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(1R,3R)-3-methoxycyclohexanecarbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C3=C(C=N2)[C@H](CCC3)NC(=O)CC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations