Geometry & MOs

Info

ID:	196774
PubChem CID:	78876518
Reduced:	O2N4H22C25 (1)
Stoich.:	A2B4C22D25 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	38.92
Dipole, Da:	3.23
IP(EA), eV:	-8.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C2)CC(=O)NC(C3=CC=CC=C3)C4=CC5=C(C=C4)N=CN5

DOS

IR

Vibrations