Geometry & MOs

Info

ID:	358524
PubChem CID:	127296120
Reduced:	ON5C19H33 (1)
Stoich.:	AB5C19D33 (1)
Weight, g/mol:	320.23246
ΔH_f, kcal/mol:	-47.26
Dipole, Da:	10.0
IP(EA), eV:	-8.62(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrrolidin-1-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CC(C)CNC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations