Geometry & MOs

Info

ID:	72507
PubChem CID:	48416249
Reduced:	NO3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-245.83
Dipole, Da:	7.94
IP(EA), eV:	-9.19(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(1-ethylbenzotriazole-5-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=C(C(=C(N2)C)C(=O)OC)C)C(=O)OC

DOS

IR

Vibrations