Geometry & MOs

Info

ID:	441355
PubChem CID:	135234312
Reduced:	ClN2O2H17C20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	333.15896
ΔH_f, kcal/mol:	8.9
Dipole, Da:	1.53
IP(EA), eV:	-9.27(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-2-amino-2-(4-methoxyquinolin-6-yl)-1-phenylethenyl]guanidine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2C(=O)C[C@H](C2=O)CC#C)C)C3=NC=C(C=N3)Cl

DOS

IR

Vibrations