Geometry & MOs

Info

ID:	330744
PubChem CID:	127248151
Reduced:	O3N5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-4.03
Dipole, Da:	3.58
IP(EA), eV:	-9.38(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-N-methyl-3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=C2)CC3(CCN(C3)C(=O)C4=NC=CN=C4)C(=O)NC

DOS

IR

Vibrations