Geometry & MOs

Info

ID:	133587
PubChem CID:	51558755
Reduced:	N4O7H19C26 (1)
Stoich.:	A4B7C19D26 (1)
Weight, g/mol:	450.239282
ΔH_f, kcal/mol:	-58.79
Dipole, Da:	9.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766833
Charge, e:	1

Chem-info

IUPAC name:

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)/C=C/3\C(=O)N=C(N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])[O-]

DOS

IR

Vibrations