Geometry & MOs

Info

ID:	358444
PubChem CID:	127296012
Reduced:	ON5C17H29 (1)
Stoich.:	AB5C17D29 (1)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	-30.43
Dipole, Da:	9.0
IP(EA), eV:	-8.99(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CN1C=CN=C1)NC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations