Geometry & MOs

Info

ID:	420414
PubChem CID:	135112994
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	324.098918
ΔH_f, kcal/mol:	-6.84
Dipole, Da:	6.82
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)N1CCNC(=O)C2C(=C2C3=CC=CC=C3)C)C

DOS

IR

Vibrations