Geometry & MOs

Info

ID:	191058
PubChem CID:	78099938
Reduced:	ClF5O6N7H25C30 (1)
Stoich.:	AB5C6D7E25F30 (1)
Weight, g/mol:	406.225643
ΔH_f, kcal/mol:	-393.1
Dipole, Da:	5.52
IP(EA), eV:	-9.51(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-ethyl-4-(4-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

COC(=O)NC1=CC2=C(C=C1)C3=C(N=C(N3)C(CC=CCC(=O)N2)N4CCC(NC4=O)C5=C(C=CC(=C5F)Cl)F)C#N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations