Geometry & MOs

Info

ID:	223962
PubChem CID:	85336338
Reduced:	ON2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	37.35
Dipole, Da:	4.06
IP(EA), eV:	-8.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(3-methoxyphenyl)-2H-1,2-oxazol-5-ylidene]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(O2)C3CNNC3C4=CC(=CC=C4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations