Geometry & MOs

Info

ID:	72368
PubChem CID:	48416095
Reduced:	NO3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-212.6
Dipole, Da:	2.96
IP(EA), eV:	-8.9(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC3=C(C=C2)NC(=O)CO3)C(=O)OC

DOS

IR

Vibrations