Geometry & MOs

Info

ID:	424783
PubChem CID:	135123903
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	505.268905
ΔH_f, kcal/mol:	-47.28
Dipole, Da:	2.19
IP(EA), eV:	-8.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[5-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrazol-3-yl]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@@H](C3=NN(C(=C3)CO)C)C(C)(C)C(=O)O)C)N=N1

DOS

IR

Vibrations