Geometry & MOs

Info

ID:	216717
PubChem CID:	85086666
Reduced:	NO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-154.03
Dipole, Da:	7.25
IP(EA), eV:	-9.54(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-3-phenyl-2-propyl-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

CC1CC(C23CCC[N+]4(C2(CCC4)C(=O)CC3C1O)[O-])O

DOS

IR

Vibrations