Geometry & MOs

Info

ID:	136853
PubChem CID:	52112233
Reduced:	ON4C24H24 (1)
Stoich.:	AB4C24D24 (1)
Weight, g/mol:	385.202836
ΔH_f, kcal/mol:	61.88
Dipole, Da:	3.73
IP(EA), eV:	-8.41(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-N-[(4-methoxyphenyl)methyl]-4-N-[(1R)-1-phenylethyl]quinazolin-3-ium-2,4-diamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations