Geometry & MOs

Info

ID:	166534
PubChem CID:	74704618
Reduced:	O3N6C25H36 (1)
Stoich.:	A3B6C25D36 (1)
Weight, g/mol:	478.305624
ΔH_f, kcal/mol:	-54.38
Dipole, Da:	9.43
IP(EA), eV:	-9.12(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-cyclohexyltetrazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

COC1CCC2CC(C(=O)NC2C1)CN(CC3=CC=CC=C3)CC4=NN=NN4CC5CCCO5

DOS

IR

Vibrations