Geometry & MOs

Info

ID:	421519
PubChem CID:	135116158
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-116.38
Dipole, Da:	3.83
IP(EA), eV:	-9.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-imidazol-1-ylbutyl)-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3)OC

DOS

IR

Vibrations