Geometry & MOs

Info

ID:	297693
PubChem CID:	117625856
Reduced:	SN3O6C17H21 (1)
Stoich.:	AB3C6D17E21 (1)
Weight, g/mol:	443.243359
ΔH_f, kcal/mol:	-130.02
Dipole, Da:	3.54
IP(EA), eV:	-9.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-[6-[(Z)-1-amino-3-iminoprop-1-enyl]-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC(=NO2)CNC3(CCS(=O)(=O)CC3)C(=O)NO

DOS

IR

Vibrations