Geometry & MOs

Info

ID:	123119
PubChem CID:	50834597
Reduced:	ON2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	462.226705
ΔH_f, kcal/mol:	11.66
Dipole, Da:	5.06
IP(EA), eV:	-8.81(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxoquinazolin-4-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3C(=NC2=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations