Geometry & MOs

Info

ID:	327058
PubChem CID:	126688941
Reduced:	P2C6O7H16 (1)
Stoich.:	A2B6C7D16 (1)
Weight, g/mol:	448.152239
ΔH_f, kcal/mol:	-451.3
Dipole, Da:	5.62
IP(EA), eV:	-10.76(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl) 2-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCCOP(=O)(O)OC(CC)P(=O)(O)O

DOS

IR

Vibrations