Geometry & MOs

Info

ID:	185932
PubChem CID:	77370436
Reduced:	N3O8C31H37 (1)
Stoich.:	A3B8C31D37 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-310.57
Dipole, Da:	2.46
IP(EA), eV:	-8.87(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1CCC(N1C(=O)OCC2=CC=CC=C2)C(=O)OC)C(CC3=CNC4=CC=CC=C43)C(=O)O

DOS

IR

Vibrations