Geometry & MOs

Info

ID:	431101
PubChem CID:	135171171
Reduced:	O2N6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	509.325357
ΔH_f, kcal/mol:	86.68
Dipole, Da:	2.67
IP(EA), eV:	-8.71(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-benzyl-N-[(1R,3S)-3-[(6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-b]pyrrole-2-carbonyl)-ethylamino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CC4=C(C=C3)NN=C4)C(=O)NC5C6CC5C6

DOS

IR

Vibrations