Geometry & MOs

Info

ID:	421141
PubChem CID:	135115438
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-110.01
Dipole, Da:	5.48
IP(EA), eV:	-8.39(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C(=O)C4CC45CC5)OC

DOS

IR

Vibrations