Geometry & MOs

Info

ID:	392075
PubChem CID:	135012629
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	266.141913
ΔH_f, kcal/mol:	-153.62
Dipole, Da:	4.89
IP(EA), eV:	-8.24(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2[C@@H](CC[C@H]3N2CCCC3)C(=O)OC)OC

DOS

IR

Vibrations