Geometry & MOs

Info

ID:	218139
PubChem CID:	85088939
Reduced:	N3O5C23H35 (1)
Stoich.:	A3B5C23D35 (1)
Weight, g/mol:	437.290309
ΔH_f, kcal/mol:	-222.49
Dipole, Da:	2.83
IP(EA), eV:	-8.89(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CCN(CC1)CC(C(CC2=CC=CC=C2)NC(=O)OC3CCOC3)O

DOS

IR

Vibrations