Geometry & MOs

Info

ID:	304403
PubChem CID:	124582262
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	385.155705
ΔH_f, kcal/mol:	-53.41
Dipole, Da:	7.2
IP(EA), eV:	-8.12(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-tert-butyl-N-(7-chloro-2-methyl-1-benzofuran-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](CNC(=O)C2=CC=C(C=C2)N3CCCCC3)N4CCOCC4

DOS

IR

Vibrations