Geometry & MOs

Info

ID:	195309
PubChem CID:	78671803
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	374.15902
ΔH_f, kcal/mol:	62.94
Dipole, Da:	9.67
IP(EA), eV:	-8.18(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 3-(4-oxo-4aH-quinazolin-2-yl)propanoate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C(=O)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)C

DOS

IR

Vibrations