Geometry & MOs

Info

ID:	358715
PubChem CID:	127296529
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	379.283492
ΔH_f, kcal/mol:	-26.79
Dipole, Da:	4.31
IP(EA), eV:	-8.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-propoxyazepan-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCOC1CCCN(CC1)C(C)C2=NC(=NO2)C3CC3

DOS

IR

Vibrations