Geometry & MOs

Info

ID:	131062
PubChem CID:	51149794
Reduced:	ClN3O3C19H26 (1)
Stoich.:	AB3C3D19E26 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-138.22
Dipole, Da:	3.61
IP(EA), eV:	-9.41(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-tert-butylanilino)-1-oxopropan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCN(CC1)C(=O)C)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations