Geometry & MOs

Info

ID:	147757
PubChem CID:	53787415
Reduced:	O5C29H32 (1)
Stoich.:	A5B29C32 (1)
Weight, g/mol:	290.153147
ΔH_f, kcal/mol:	-166.24
Dipole, Da:	9.32
IP(EA), eV:	-9.06(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCC(C)CC1=C2C=C(C=CC2=CC(=C1)OC(=O)C3=CC=C(C=C3)OCCCCC=C)C(=O)O

DOS

IR

Vibrations