Geometry & MOs

Info

ID:	84317
PubChem CID:	49865712
Reduced:	NO2C17H19 (2)
Stoich.:	AB2C17D19 (2)
Weight, g/mol:	371.148121
ΔH_f, kcal/mol:	-84.37
Dipole, Da:	4.88
IP(EA), eV:	-8.46(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)triazol-1-yl]methyl]phenol

Drug info:

PubChemData

Smile

CN1C(=CC2=C1[C@H]3[C@@]45CCN([C@@H]([C@@]4(C2)O)CC6=C5C(=C(C=C6)O)O3)CC7CC7)CCC(=O)CCC8=CC=CC=C8

DOS

IR

Vibrations