Geometry & MOs

Info

ID:	216308
PubChem CID:	85086023
Reduced:	O2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	64.0
Dipole, Da:	2.75
IP(EA), eV:	-8.56(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C#CC(C=CC1=CC=CC=C(C1)C=CC(C#C)O)O

DOS

IR

Vibrations