Geometry & MOs

Info

ID:	415143
PubChem CID:	135088129
Reduced:	NSO3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	4.53
IP(EA), eV:	-8.78(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)CCOC3=CC=CC=C3)C4=C1SC=C4

DOS

IR

Vibrations