Geometry & MOs

Info

ID:	430780
PubChem CID:	135170847
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	483.309707
ΔH_f, kcal/mol:	-59.15
Dipole, Da:	3.59
IP(EA), eV:	-8.85(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-benzyl-N-[(1R,3S)-3-[ethyl-[hydroxy(1,5,6,7-tetrahydropyrano[3,2-b]pyrrol-2-yl)methyl]amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)CCOC4

DOS

IR

Vibrations