Geometry & MOs

Info

ID:	418754
PubChem CID:	135106705
Reduced:	N3O3C17H27 (1)
Stoich.:	A3B3C17D27 (1)
Weight, g/mol:	363.215806
ΔH_f, kcal/mol:	-130.08
Dipole, Da:	1.77
IP(EA), eV:	-8.58(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]azepan-2-one

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NCCCNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations