Geometry & MOs

Info

ID:	445461
PubChem CID:	135267150
Reduced:	O3F7N7H30C36 (1)
Stoich.:	A3B7C7D30E36 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-298.34
Dipole, Da:	2.89
IP(EA), eV:	-8.9(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-7-propan-2-ylindazol-3-yl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=NNC(=O)N12)C3=C(N=C(C=C3)C#CC(C)(C)O)[C@H](CC4=CC(=CC(=C4)F)F)NC(=O)CN5C6=C([C@H]7CC[C@H]7C6(F)F)C(=N5)C(F)(F)F

DOS

IR

Vibrations