Geometry & MOs

Info

ID:	122947
PubChem CID:	50828068
Reduced:	ClO3N5C25H26 (1)
Stoich.:	AB3C5D25E26 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-12.45
Dipole, Da:	3.26
IP(EA), eV:	-8.43(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=C(C=C2)C3=NOC(=N3)C(=O)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations