Geometry & MOs

Info

ID:	151281
PubChem CID:	53790981
Reduced:	F2O4N5C29H31 (1)
Stoich.:	A2B4C5D29E31 (1)
Weight, g/mol:	374.150954
ΔH_f, kcal/mol:	-169.13
Dipole, Da:	7.77
IP(EA), eV:	-9.34(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorobenzotriazol-2-yl)-6-(diethylaminomethyl)-4-(2-hydroxyethyl)phenol

Drug info:

PubChemData

Smile

CCC1=CC(N(C(=O)N1C(=O)O)N(CCNC2CCC(CC2)(C#N)C3=CC=CC=C3)C=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations