Geometry & MOs

Info

ID:	333596
PubChem CID:	127252148
Reduced:	FON6C21H21 (1)
Stoich.:	ABC6D21E21 (1)
Weight, g/mol:	361.155705
ΔH_f, kcal/mol:	11.85
Dipole, Da:	5.11
IP(EA), eV:	-9.21(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=NC=CN=C3)C(=O)CCC4=CC=C(C=C4)F

DOS

IR

Vibrations