Geometry & MOs

Info

ID:	306962
PubChem CID:	125264448
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-70.18
Dipole, Da:	5.74
IP(EA), eV:	-8.79(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,5R,7aS)-5-(pyridin-2-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C[C@@H]([C@@H]3[C@@H]2CCCO3)NC(=O)N(C)C

DOS

IR

Vibrations