Geometry & MOs

Info

ID:	423271
PubChem CID:	135119220
Reduced:	N3O4C16H21 (1)
Stoich.:	A3B4C16D21 (1)
Weight, g/mol:	335.103669
ΔH_f, kcal/mol:	-101.87
Dipole, Da:	5.1
IP(EA), eV:	-8.41(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)CC2=CC3=C(C=C2OC)OCO3

DOS

IR

Vibrations