Geometry & MOs

Info

ID:	235320
PubChem CID:	92309403
Reduced:	ClO2N3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-24.27
Dipole, Da:	3.56
IP(EA), eV:	-9.42(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methylindazol-1-yl)-4-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)CCC(=O)N2C3=C(C=CC(=C3)Cl)C=N2

DOS

IR

Vibrations