Geometry & MOs

Info

ID:	370782
PubChem CID:	127340564
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	378.299476
ΔH_f, kcal/mol:	-50.2
Dipole, Da:	3.9
IP(EA), eV:	-8.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)N2CCCN(CC2)C3CCCC3

DOS

IR

Vibrations