Geometry & MOs

Info

ID:	186591
PubChem CID:	77450816
Reduced:	PN3O7C26H44 (1)
Stoich.:	AB3C7D26E44 (1)
Weight, g/mol:	411.238273
ΔH_f, kcal/mol:	-382.33
Dipole, Da:	10.38
IP(EA), eV:	-9.43(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[6-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]triazol-1-yl]phenyl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CCCC1C(=O)NC2(CC2C=C)P(=O)(CC(C)(C)O)O)NC(=O)OC3CCCC3

DOS

IR

Vibrations