Geometry & MOs

Info

ID:	336093
PubChem CID:	127255100
Reduced:	ON3C8H13 (2)
Stoich.:	AB3C8D13 (2)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-50.96
Dipole, Da:	4.9
IP(EA), eV:	-9.74(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-[(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)carbamoyl]cyclohexyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)N2CCC(CC2)C(=O)N)CN3C=NN=N3

DOS

IR

Vibrations