Geometry & MOs

Info

ID:	320026
PubChem CID:	126657971
Reduced:	N2O3C9H16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	297.12774
ΔH_f, kcal/mol:	-134.63
Dipole, Da:	4.18
IP(EA), eV:	-9.91(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-amino-7-(3-fluorophenyl)isoquinolin-4-yl]-(methylamino)methanol

Drug info:

PubChemData

Smile

CCC(=O)NC1CN(C1)C(=O)C(C)O

DOS

IR

Vibrations