Geometry & MOs

Info

ID:	358549
PubChem CID:	127296145
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	375.263425
ΔH_f, kcal/mol:	-112.29
Dipole, Da:	4.61
IP(EA), eV:	-8.79(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations