Geometry & MOs

Info

ID:	235316
PubChem CID:	92309399
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	335.103669
ΔH_f, kcal/mol:	-60.06
Dipole, Da:	2.67
IP(EA), eV:	-9.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-chloroindazol-1-yl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)CCC(=O)N1C2=C(C=C(C=C2)C)C=N1

DOS

IR

Vibrations