Geometry & MOs

Info

ID:	40735
PubChem CID:	8144613
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	350.186852
ΔH_f, kcal/mol:	56.72
Dipole, Da:	4.64
IP(EA), eV:	-8.28(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-[(4-methoxyphenyl)methyl]-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations