Geometry & MOs

Info

ID:	424733
PubChem CID:	135123736
Reduced:	N3O3H29C30 (1)
Stoich.:	A3B3C29D30 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-9.99
Dipole, Da:	4.35
IP(EA), eV:	-8.4(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethyl-7-methoxy-4-methylbenzotriazol-5-yl)-3-[3-(hydroxymethyl)-4-methylphenyl]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3OC)C4=CC=NN4C5=CC=CC=C5)C6(C2=O)CCCC6

DOS

IR

Vibrations