Geometry & MOs

Info

ID:	182287
PubChem CID:	76870821
Reduced:	ClN3O3C24H24 (1)
Stoich.:	AB3C3D24E24 (1)
Weight, g/mol:	434.208469
ΔH_f, kcal/mol:	-15.66
Dipole, Da:	5.57
IP(EA), eV:	-8.99(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)C2=CC(=CC=C2)OCC(=O)N(C)C)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations