Geometry & MOs

Info

ID:	134065
PubChem CID:	51636177
Reduced:	N2O3C21H34 (1)
Stoich.:	A2B3C21D34 (1)
Weight, g/mol:	418.240248
ΔH_f, kcal/mol:	-128.44
Dipole, Da:	6.19
IP(EA), eV:	-8.54(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCN([C@H](C2)CCO)CC3CCCCC3)O

DOS

IR

Vibrations