Geometry & MOs

Info

ID:	142433
PubChem CID:	53033334
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	-38.63
Dipole, Da:	2.08
IP(EA), eV:	-8.93(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(5-methylindazole-1-carbonyl)amino]phenyl]acetate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)C)C(=O)CN2C3=CC=CC=C3N=C4CCCC4C2=O

DOS

IR

Vibrations