Geometry & MOs

Info

ID:	423726
PubChem CID:	135120082
Reduced:	NOC19H29 (1)
Stoich.:	ABC19D29 (1)
Weight, g/mol:	376.163436
ΔH_f, kcal/mol:	-64.49
Dipole, Da:	2.95
IP(EA), eV:	-8.33(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)CC3=CC=CC(=C3C)C)O

DOS

IR

Vibrations