Geometry & MOs

Info

ID:	371155
PubChem CID:	127342680
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-31.72
Dipole, Da:	6.03
IP(EA), eV:	-8.92(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-hydroxybenzoyl)pyrrolidin-2-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C#N)C(=O)N1CCCC(CC1)N2CCCC2

DOS

IR

Vibrations