Geometry & MOs

Info

ID:	381066
PubChem CID:	134971696
Reduced:	BOPH19C20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	530.265491
ΔH_f, kcal/mol:	120.47
Dipole, Da:	4.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125417
Charge, e:	0

Chem-info

IUPAC name:

1-(3-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

[B][P+](C1=CC=CC=C1)(C2=CC=CC=C2)[C@@H](C)C\3=CC=C/C3=C/O

DOS

IR

Vibrations