Geometry & MOs

Info

ID:	6526
PubChem CID:	68811
Reduced:	N2O3C17H26 (1)
Stoich.:	A2B3C17D26 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-127.7
Dipole, Da:	4.18
IP(EA), eV:	-8.96(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)NCC(COC1=CC=CC2=C1CCN(C2)C=O)O

DOS

IR

Vibrations