Geometry & MOs

Info

ID:	370816
PubChem CID:	127340645
Reduced:	NOC7H11 (3)
Stoich.:	ABC7D11 (3)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-156.56
Dipole, Da:	5.42
IP(EA), eV:	-8.86(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyl-1,4-diazepan-1-yl)-[3-[(6-methylpyridazin-3-yl)amino]phenyl]methanone

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)CCN3C(=O)C4CCCCC4C3=O

DOS

IR

Vibrations