Geometry & MOs

Info

ID:	208575
PubChem CID:	80548227
Reduced:	ON6C14H14 (1)
Stoich.:	AB6C14D14 (1)
Weight, g/mol:	280.168797
ΔH_f, kcal/mol:	78.23
Dipole, Da:	6.08
IP(EA), eV:	-8.75(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

Drug info:

PubChemData

Smile

C1CNCC2=C1C(=CC=C2)NC3=NN4C(=NNC4=O)C=C3

DOS

IR

Vibrations