Geometry & MOs

Info

ID:	360231
PubChem CID:	127300874
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-53.33
Dipole, Da:	4.83
IP(EA), eV:	-8.7(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)CC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations