Geometry & MOs

Info

ID:	49237
PubChem CID:	11532220
Reduced:	SO2N6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	438.230728
ΔH_f, kcal/mol:	-9.51
Dipole, Da:	11.02
IP(EA), eV:	-8.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)N2CCCN(CC2)C3=C4C(=C(SC4=NC=C3)C(=O)N)N

DOS

IR

Vibrations