Geometry & MOs

Info

ID:	136851
PubChem CID:	52112115
Reduced:	N2C14H15 (2)
Stoich.:	A2B14C15 (2)
Weight, g/mol:	381.207922
ΔH_f, kcal/mol:	84.11
Dipole, Da:	3.29
IP(EA), eV:	-8.1(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1S)-1-phenylethyl]quinazolin-3-ium-4-amine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCC(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations