Geometry & MOs

Info

ID:	358031
PubChem CID:	127295576
Reduced:	O3N5C18H29 (1)
Stoich.:	A3B5C18D29 (1)
Weight, g/mol:	224.225249
ΔH_f, kcal/mol:	-144.01
Dipole, Da:	8.11
IP(EA), eV:	-8.4(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropyl)-3-pyrrolidin-1-ylazepane

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=O)NC1=O)C(=O)CN2CCC(C2)N3CCCCC3)N

DOS

IR

Vibrations