Geometry & MOs

Info

ID:	42916
PubChem CID:	10317127
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-90.52
Dipole, Da:	7.18
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-oxo-1-[(4-oxo-2-propan-2-ylquinazolin-3-yl)amino]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)CN2CCC(CC2)C3=CC=CC=[N+]3[O-])OC

DOS

IR

Vibrations