Geometry & MOs

Info

ID:	235321
PubChem CID:	92309407
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	381.124405
ΔH_f, kcal/mol:	-29.01
Dipole, Da:	2.53
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-chloroindazol-1-yl)-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(N=C2)C(=O)CCC(=O)N[C@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations