Geometry & MOs

Info

ID:	317201
PubChem CID:	126632950
Reduced:	SN4H46C67 (1)
Stoich.:	AB4C46D67 (1)
Weight, g/mol:	177.078979
ΔH_f, kcal/mol:	300.7
Dipole, Da:	3.91
IP(EA), eV:	-7.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde

Drug info:

Smile

CC1=NC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)C6=C7C(=C(C=C6C58C9=CC=CC=C9C1=CC=CC=C81)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CN=C(C=C1)C)C1=CC=CC=C1S7

DOS

IR

Vibrations