Geometry & MOs

Info

ID:	196673
PubChem CID:	78863002
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	22.85
Dipole, Da:	7.92
IP(EA), eV:	-8.77(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)N3CCN(CC3)CC4=CC=NC=C4

DOS

IR

Vibrations