Geometry & MOs

Info

ID:	430779
PubChem CID:	135170846
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-54.28
Dipole, Da:	7.73
IP(EA), eV:	-8.58(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohexyl]-N-ethyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)CCOC4

DOS

IR

Vibrations