Geometry & MOs

Info

ID:	377966
PubChem CID:	134224033
Reduced:	NO6C24H29 (1)
Stoich.:	AB6C24D29 (1)
Weight, g/mol:	313.123342
ΔH_f, kcal/mol:	-219.11
Dipole, Da:	16.01
IP(EA), eV:	-8.91(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-6-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OC4CC(C4)OC

DOS

IR

Vibrations