Geometry & MOs

Info

ID:	371452
PubChem CID:	127346451
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-121.03
Dipole, Da:	4.23
IP(EA), eV:	-9.24(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=C(N=CO1)C(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations